(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen

C70H87N15O6 — CID 157485689

IUPAC(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ccc(-c2ccc(N3CCNC(c4ccccc4)C3)nc2C(=O)c2cccnc2N)o1.Cc1ccc(-c2ccc(N3CCNCC3)nc2C(=O)c2cccnc2N)o1.Cc1ccc(-c2ccc(N3CCN[C@@H](CC(C)C)C3)nc2C(=O)c2cccnc2N)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N5O2.C24H29N5O2.C20H21N5O2.6H2/c1-17-9-11-22(33-17)19-10-12-23(30-24(19)25(32)20-8-5-13-29-26(20)27)31-15-14-28-21(16-31)18-6-3-2-4-7-18;1-15(2)13-17-14-29(12-11-26-17)21-9-7-18(20-8-6-16(3)31-20)22(28-21)23(30)19-5-4-10-27-24(19)25;1-13-4-6-16(27-13)14-5-7-17(25-11-9-22-10-12-25)24-18(14)19(26)15-3-2-8-23-20(15)21;;;;;;/h2-13,21,28H,14-16H2,1H3,(H2,27,29);4-10,15,17,26H,11-14H2,1-3H3,(H2,25,27);2-8,22H,9-12H2,1H3,(H2,21,23);6*1H/t;17-;;;;;;;/m.0......./s1
InChIKeyBWRNRZZLKHUOFS-HZEJCFSRSA-N
MW1234.56 g/mol
LogP11.44
Rot. Bonds15

About (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157485689) has the molecular formula C70H87N15O6 and a molecular weight of 1234.56 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157485689
Molecular FormulaC70H87N15O6
Molecular Weight1234.56 g/mol
Exact Mass1233.70
IUPAC Name(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ccc(-c2ccc(N3CCNC(c4ccccc4)C3)nc2C(=O)c2cccnc2N)o1.Cc1ccc(-c2ccc(N3CCNCC3)nc2C(=O)c2cccnc2N)o1.Cc1ccc(-c2ccc(N3CCN[C@@H](CC(C)C)C3)nc2C(=O)c2cccnc2N)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N5O2.C24H29N5O2.C20H21N5O2.6H2/c1-17-9-11-22(33-17)19-10-12-23(30-24(19)25(32)20-8-5-13-29-26(20)27)31-15-14-28-21(16-31)18-6-3-2-4-7-18;1-15(2)13-17-14-29(12-11-26-17)21-9-7-18(20-8-6-16(3)31-20)22(28-21)23(30)19-5-4-10-27-24(19)25;1-13-4-6-16(27-13)14-5-7-17(25-11-9-22-10-12-25)24-18(14)19(26)15-3-2-8-23-20(15)21;;;;;;/h2-13,21,28H,14-16H2,1H3,(H2,27,29);4-10,15,17,26H,11-14H2,1-3H3,(H2,25,27);2-8,22H,9-12H2,1H3,(H2,21,23);6*1H/t;17-;;;;;;;/m.0......./s1
InChIKeyBWRNRZZLKHUOFS-HZEJCFSRSA-N
XLogP11.44
TPSA291.84 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001234.56
LogP ≤ 511.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

N'-[5-[5-[6-[[amino(pyridin-2-yl)methylidene]amino]-3-pyridinyl]furan-2-yl]-2-pyridinyl]pyridine-2-carboximidamide
CID 56672002
1-[3-[5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]furan-2-yl]-2-pyridinyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 16749727
N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-2-yl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-ylpyridin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 130425780
[6-(2-Aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157193468
(2-Amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-propylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157195363
[6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157256502
[6-[(1-Aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylethyl)amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157256503
[6-(2-Aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157280610
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
CID 157330010
(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine
CID 157420647
(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethynyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethynyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 157568022
[6-[(4-Amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157685706

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen (CID 157485689) is (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen is Cc1ccc(-c2ccc(N3CCNC(c4ccccc4)C3)nc2C(=O)c2cccnc2N)o1.Cc1ccc(-c2ccc(N3CCNCC3)nc2C(=O)c2cccnc2N)o1.Cc1ccc(-c2ccc(N3CCN[C@@H](CC(C)C)C3)nc2C(=O)c2cccnc2N)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is BWRNRZZLKHUOFS-HZEJCFSRSA-N. The full InChI is InChI=1S/C26H25N5O2.C24H29N5O2.C20H21N5O2.6H2/c1-17-9-11-22(33-17)19-10-12-23(30-24(19)25(32)20-8-5-13-29-26(20)27)31-15-14-28-21(16-31)18-6-3-2-4-7-18;1-15(2)13-17-14-29(12-11-26-17)21-9-7-18(20-8-6-16(3)31-20)22(28-21)23(30)19-5-4-10-27-24(19)25;1-13-4-6-16(27-13)14-5-7-17(25-11-9-22-10-12-25)24-18(14)19(26)15-3-2-8-23-20(15)21;;;;;;/h2-13,21,28H,14-16H2,1H3,(H2,27,29);4-10,15,17,26H,11-14H2,1-3H3,(H2,25,27);2-8,22H,9-12H2,1H3,(H2,21,23);6*1H/t;17-;;;;;;;/m.0......./s1.
What are the key properties of (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1234.56 g/mol, XLogP of 11.44, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157485689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).