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

C25H24ClN5O3 — CID 140914389

IUPACN-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H24ClN5O3/c1-34-23-10-16(15-32)19(12-20(23)26)22-14-31-9-6-18(11-24(31)29-22)30-8-5-17(13-30)28-25(33)21-4-2-3-7-27-21/h2-4,6-7,9-12,14,17,32H,5,8,13,15H2,1H3,(H,28,33)/t17-/m0/s1
InChIKeyMHWJZCHJIKGXRV-KRWDZBQOSA-N
MW477.95 g/mol
LogP3.56
Rot. Bonds6

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

N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 140914389) 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-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID140914389
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC NameN-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H24ClN5O3/c1-34-23-10-16(15-32)19(12-20(23)26)22-14-31-9-6-18(11-24(31)29-22)30-8-5-17(13-30)28-25(33)21-4-2-3-7-27-21/h2-4,6-7,9-12,14,17,32H,5,8,13,15H2,1H3,(H,28,33)/t17-/m0/s1
InChIKeyMHWJZCHJIKGXRV-KRWDZBQOSA-N
XLogP3.56
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Gsk-923295a
CID 46898058
3-chloro-N-[1-[[2-(dimethylamino)-1-oxoethyl]amino]-3-[4-[8-(1-hydroxyethyl)-2-imidazo[1,2-a]pyridinyl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
CID 56644302
6-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino}phenoxy)isoindolin-1-one
CID 57415414
5-[2-Chloro-4-[[5-(2-hydroxyethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenoxy]-2,3-dihydroisoindol-1-one
CID 57415415
4-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino}phenoxy)isoindolin-1-one
CID 57415418
1-[(3-Chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea
CID 151343945
US20230348426, Example 717
CID 169319052
[(1R,5S)-3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone
CID 135334899
US10508109, Example 260
CID 135335064
4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide
CID 135335226
N-[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 135335551
US10508109, Example 208
CID 140914392

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide (CID 140914389) is N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]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-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide is COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl.
What is the InChIKey of N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is MHWJZCHJIKGXRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-34-23-10-16(15-32)19(12-20(23)26)22-14-31-9-6-18(11-24(31)29-22)30-8-5-17(13-30)28-25(33)21-4-2-3-7-27-21/h2-4,6-7,9-12,14,17,32H,5,8,13,15H2,1H3,(H,28,33)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 140914389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).