2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine

C39H52N8O2 — CID 145269236

IUPAC2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
SMILESCN1CCC(n2cc(-c3cnc(N)c(C(N)=O)c3)cn2)CC1.CN1CCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O.C15H20N6O/c1-25-14-16-26(17-15-25)18-20-6-10-22(11-7-20)23-12-8-21(9-13-23)19-27-24-4-2-3-5-24;1-20-4-2-12(3-5-20)21-9-11(8-19-21)10-6-13(15(17)22)14(16)18-7-10/h6-13,24H,2-5,14-19H2,1H3;6-9,12H,2-5H2,1H3,(H2,16,18)(H2,17,22)
InChIKeyFZHABFZCUBQUKA-UHFFFAOYSA-N
MW664.90 g/mol
LogP5.45
Rot. Bonds9

About 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine

2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine (PubChem CID 145269236) has the molecular formula C39H52N8O2 and a molecular weight of 664.90 g/mol. Its IUPAC name is 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
PubChem CID145269236
Molecular FormulaC39H52N8O2
Molecular Weight664.90 g/mol
Exact Mass664.42
IUPAC Name2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
SMILESCN1CCC(n2cc(-c3cnc(N)c(C(N)=O)c3)cn2)CC1.CN1CCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O.C15H20N6O/c1-25-14-16-26(17-15-25)18-20-6-10-22(11-7-20)23-12-8-21(9-13-23)19-27-24-4-2-3-5-24;1-20-4-2-12(3-5-20)21-9-11(8-19-21)10-6-13(15(17)22)14(16)18-7-10/h6-13,24H,2-5,14-19H2,1H3;6-9,12H,2-5H2,1H3,(H2,16,18)(H2,17,22)
InChIKeyFZHABFZCUBQUKA-UHFFFAOYSA-N
XLogP5.45
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.90
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 145269334
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
CID 145269532
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256
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-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-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392
2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
CID 145269161
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-methylpiperidin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644105
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine?
The IUPAC name of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine (CID 145269236) is 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine is CN1CCC(n2cc(-c3cnc(N)c(C(N)=O)c3)cn2)CC1.CN1CCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)cc2)CC1.
What is the InChIKey of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine?
The InChIKey is FZHABFZCUBQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O.C15H20N6O/c1-25-14-16-26(17-15-25)18-20-6-10-22(11-7-20)23-12-8-21(9-13-23)19-27-24-4-2-3-5-24;1-20-4-2-12(3-5-20)21-9-11(8-19-21)10-6-13(15(17)22)14(16)18-7-10/h6-13,24H,2-5,14-19H2,1H3;6-9,12H,2-5H2,1H3,(H2,16,18)(H2,17,22).
What are the key properties of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine?
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine has a molecular weight of 664.90 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 145269236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).