N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide

C21H33N7O — CID 156513323

IUPACN-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)N(C)[C@H]3CCNC3)CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C21H33N7O/c1-14(2)28-13-23-19-18(11-15(3)24-20(19)28)25-16-6-9-27(10-7-16)21(29)26(4)17-5-8-22-12-17/h11,13-14,16-17,22H,5-10,12H2,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyOAUDAUJBYDCAAC-KRWDZBQOSA-N
MW399.54 g/mol
LogP2.61
Rot. Bonds4

About N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 156513323) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID156513323
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC NameN-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)N(C)[C@H]3CCNC3)CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C21H33N7O/c1-14(2)28-13-23-19-18(11-15(3)24-20(19)28)25-16-6-9-27(10-7-16)21(29)26(4)17-5-8-22-12-17/h11,13-14,16-17,22H,5-10,12H2,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyOAUDAUJBYDCAAC-KRWDZBQOSA-N
XLogP2.61
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide (CID 156513323) is N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide is Cc1cc(NC2CCN(C(=O)N(C)[C@H]3CCNC3)CC2)c2ncn(C(C)C)c2n1.
What is the InChIKey of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is OAUDAUJBYDCAAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N7O/c1-14(2)28-13-23-19-18(11-15(3)24-20(19)28)25-16-6-9-27(10-7-16)21(29)26(4)17-5-8-22-12-17/h11,13-14,16-17,22H,5-10,12H2,1-4H3,(H,24,25)/t17-/m0/s1.
What are the key properties of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 156513323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).