lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate

C38H44LiN11O3 — CID 157488160

IUPAClithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESC[C@H]1CCN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)cn3)cn2)C1.C[C@H]1CCN(c2ccc(Cn3cc(C(=O)[O-])cn3)cn2)C1.[Li+]
InChIInChI=1S/C23H27N7O.C15H18N4O2.Li/c1-15-8-9-29(12-15)22-7-2-16(10-25-22)13-30-14-17(11-26-30)23(31)28-20-5-4-19-18(20)3-6-21(24)27-19;1-11-4-5-18(8-11)14-3-2-12(6-16-14)9-19-10-13(7-17-19)15(20)21;/h2-3,6-7,10-11,14-15,20H,4-5,8-9,12-13H2,1H3,(H2,24,27)(H,28,31);2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,21);/q;;+1/p-1/t15-,20+;11-;/m00./s1
InChIKeySJLOETUXKYXEDK-KVEAWQLSSA-M
MW709.79 g/mol
LogP0.11
Rot. Bonds9

About lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate

lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 157488160) has the molecular formula C38H44LiN11O3 and a molecular weight of 709.79 g/mol. Its IUPAC name is lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namelithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate
PubChem CID157488160
Molecular FormulaC38H44LiN11O3
Molecular Weight709.79 g/mol
Exact Mass709.38
IUPAC Namelithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESC[C@H]1CCN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)cn3)cn2)C1.C[C@H]1CCN(c2ccc(Cn3cc(C(=O)[O-])cn3)cn2)C1.[Li+]
InChIInChI=1S/C23H27N7O.C15H18N4O2.Li/c1-15-8-9-29(12-15)22-7-2-16(10-25-22)13-30-14-17(11-26-30)23(31)28-20-5-4-19-18(20)3-6-21(24)27-19;1-11-4-5-18(8-11)14-3-2-12(6-16-14)9-19-10-13(7-17-19)15(20)21;/h2-3,6-7,10-11,14-15,20H,4-5,8-9,12-13H2,1H3,(H2,24,27)(H,28,31);2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,21);/q;;+1/p-1/t15-,20+;11-;/m00./s1
InChIKeySJLOETUXKYXEDK-KVEAWQLSSA-M
XLogP0.11
TPSA176.04 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.79
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate (CID 157488160) is lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate is C[C@H]1CCN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)cn3)cn2)C1.C[C@H]1CCN(c2ccc(Cn3cc(C(=O)[O-])cn3)cn2)C1.[Li+].
What is the InChIKey of lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The InChIKey is SJLOETUXKYXEDK-KVEAWQLSSA-M. The full InChI is InChI=1S/C23H27N7O.C15H18N4O2.Li/c1-15-8-9-29(12-15)22-7-2-16(10-25-22)13-30-14-17(11-26-30)23(31)28-20-5-4-19-18(20)3-6-21(24)27-19;1-11-4-5-18(8-11)14-3-2-12(6-16-14)9-19-10-13(7-17-19)15(20)21;/h2-3,6-7,10-11,14-15,20H,4-5,8-9,12-13H2,1H3,(H2,24,27)(H,28,31);2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,21);/q;;+1/p-1/t15-,20+;11-;/m00./s1.
What are the key properties of lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate?
lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 709.79 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 157488160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).