N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide

C25H24ClN5O3 — CID 135335551

IUPACN-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H24ClN5O3/c1-33-22-13-23(34-2)19(26)12-18(22)21-15-31-10-7-17(11-24(31)29-21)30-9-6-16(14-30)28-25(32)20-5-3-4-8-27-20/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,28,32)/t16-/m0/s1
InChIKeyYJRCQVHWHFIOIG-INIZCTEOSA-N
MW477.95 g/mol
LogP4.08
Rot. Bonds6

About N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide

N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 135335551) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID135335551
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC NameN-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H24ClN5O3/c1-33-22-13-23(34-2)19(26)12-18(22)21-15-31-10-7-17(11-24(31)29-21)30-9-6-16(14-30)28-25(32)20-5-3-4-8-27-20/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,28,32)/t16-/m0/s1
InChIKeyYJRCQVHWHFIOIG-INIZCTEOSA-N
XLogP4.08
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide (CID 135335551) is N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide is COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl.
What is the InChIKey of N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is YJRCQVHWHFIOIG-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-33-22-13-23(34-2)19(26)12-18(22)21-15-31-10-7-17(11-24(31)29-21)30-9-6-16(14-30)28-25(32)20-5-3-4-8-27-20/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,28,32)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135335551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).