2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid

C64H71BrN16O8 — CID 160625728

IUPAC2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid
SMILESCN1CCN(Cc2ccc(-c3ccc(CO[C@H]4COC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3COC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1
InChIInChI=1S/C33H39N7O3.C21H22BrN5O3.C10H10N4O2/c1-38-11-13-40(14-12-38)18-23-3-7-25(8-4-23)26-9-5-24(6-10-26)20-43-31-22-42-21-30(31)37-33(41)29-15-27(16-35-32(29)34)28-17-36-39(2)19-28;1-27-9-15(8-25-27)14-6-17(20(23)24-7-14)21(28)26-18-11-29-12-19(18)30-10-13-2-4-16(22)5-3-13;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6/h3-10,15-17,19,30-31H,11-14,18,20-22H2,1-2H3,(H2,34,35)(H,37,41);2-9,18-19H,10-12H2,1H3,(H2,23,24)(H,26,28);2-5H,1H3,(H2,11,12)(H,15,16)/t30-,31-;18-,19-;/m00./s1
InChIKeyRHGSDKGQKGVHJY-BZOXUAMISA-N
MW1272.28 g/mol
LogP6.50
Rot. Bonds17

About 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid

2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid (PubChem CID 160625728) has the molecular formula C64H71BrN16O8 and a molecular weight of 1272.28 g/mol. Its IUPAC name is 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid
PubChem CID160625728
Molecular FormulaC64H71BrN16O8
Molecular Weight1272.28 g/mol
Exact Mass1270.48
IUPAC Name2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid
SMILESCN1CCN(Cc2ccc(-c3ccc(CO[C@H]4COC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3COC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1
InChIInChI=1S/C33H39N7O3.C21H22BrN5O3.C10H10N4O2/c1-38-11-13-40(14-12-38)18-23-3-7-25(8-4-23)26-9-5-24(6-10-26)20-43-31-22-42-21-30(31)37-33(41)29-15-27(16-35-32(29)34)28-17-36-39(2)19-28;1-27-9-15(8-25-27)14-6-17(20(23)24-7-14)21(28)26-18-11-29-12-19(18)30-10-13-2-4-16(22)5-3-13;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6/h3-10,15-17,19,30-31H,11-14,18,20-22H2,1-2H3,(H2,34,35)(H,37,41);2-9,18-19H,10-12H2,1H3,(H2,23,24)(H,26,28);2-5H,1H3,(H2,11,12)(H,15,16)/t30-,31-;18-,19-;/m00./s1
InChIKeyRHGSDKGQKGVHJY-BZOXUAMISA-N
XLogP6.50
TPSA309.09 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001272.28
LogP ≤ 56.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-amino-N-[(3S,4R)-4-[[4-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylphenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654211
2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171524879
2-amino-N-[(4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]pyridine-3-carboxamide
CID 126654212
2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644105
2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide
CID 126644731
2-amino-5-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644579
2-amino-N-[(1S,2S)-2-[[4-[4-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644514
2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644543
2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-[1-(1,1,2,2-tetrafluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 126644687
2-amino-N-[(1S,2S)-2-[[4-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644932
2-amino-N-[(2S)-2-[(4-chlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid (CID 160625728) is 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid is CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4COC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3COC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid?
The InChIKey is RHGSDKGQKGVHJY-BZOXUAMISA-N. The full InChI is InChI=1S/C33H39N7O3.C21H22BrN5O3.C10H10N4O2/c1-38-11-13-40(14-12-38)18-23-3-7-25(8-4-23)26-9-5-24(6-10-26)20-43-31-22-42-21-30(31)37-33(41)29-15-27(16-35-32(29)34)28-17-36-39(2)19-28;1-27-9-15(8-25-27)14-6-17(20(23)24-7-14)21(28)26-18-11-29-12-19(18)30-10-13-2-4-16(22)5-3-13;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6/h3-10,15-17,19,30-31H,11-14,18,20-22H2,1-2H3,(H2,34,35)(H,37,41);2-9,18-19H,10-12H2,1H3,(H2,23,24)(H,26,28);2-5H,1H3,(H2,11,12)(H,15,16)/t30-,31-;18-,19-;/m00./s1.
What are the key properties of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid?
2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid has a molecular weight of 1272.28 g/mol, XLogP of 6.50, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 160625728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).