1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide

C22H24ClN5O2 — CID 153286832

IUPAC1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESC[C@@H](C(=O)NCc1cnc2[nH]cc(Cl)c2c1)N1CC(c2ccccc2)CC1C(N)=O
InChIInChI=1S/C22H24ClN5O2/c1-13(22(30)27-10-14-7-17-18(23)11-26-21(17)25-9-14)28-12-16(8-19(28)20(24)29)15-5-3-2-4-6-15/h2-7,9,11,13,16,19H,8,10,12H2,1H3,(H2,24,29)(H,25,26)(H,27,30)/t13-,16?,19?/m0/s1
InChIKeySNRKZKWZAYJPEF-ISWZSGDOSA-N
MW425.92 g/mol
LogP2.56
Rot. Bonds6

About 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide

1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide (PubChem CID 153286832) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
PubChem CID153286832
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESC[C@@H](C(=O)NCc1cnc2[nH]cc(Cl)c2c1)N1CC(c2ccccc2)CC1C(N)=O
InChIInChI=1S/C22H24ClN5O2/c1-13(22(30)27-10-14-7-17-18(23)11-26-21(17)25-9-14)28-12-16(8-19(28)20(24)29)15-5-3-2-4-6-15/h2-7,9,11,13,16,19H,8,10,12H2,1H3,(H2,24,29)(H,25,26)(H,27,30)/t13-,16?,19?/m0/s1
InChIKeySNRKZKWZAYJPEF-ISWZSGDOSA-N
XLogP2.56
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-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

4-[(3-chloro-4-fluorophenyl)methyl]-1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 162449994
1-[(2S)-1-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 153286845
1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 153286623
1-[(2S)-1-[(6-amino-2-ethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;dihydrochloride
CID 153286773
1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 153287124
1-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-4-(4-methylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 153286611
1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 153287122
1-[(2S)-1-[[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 176761656
(2R)-2-amino-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-oxopentan-2-yl]-4-phenylbutanamide
CID 167572830
1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 176761496
1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 153286959
(2R)-N-[(2S)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-oxopentan-2-yl]-2-(2,2-dimethylpropylamino)-4-phenylbutanamide
CID 167580295

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide (CID 153286832) is 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide is C[C@@H](C(=O)NCc1cnc2[nH]cc(Cl)c2c1)N1CC(c2ccccc2)CC1C(N)=O.
What is the InChIKey of 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
The InChIKey is SNRKZKWZAYJPEF-ISWZSGDOSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-13(22(30)27-10-14-7-17-18(23)11-26-21(17)25-9-14)28-12-16(8-19(28)20(24)29)15-5-3-2-4-6-15/h2-7,9,11,13,16,19H,8,10,12H2,1H3,(H2,24,29)(H,25,26)(H,27,30)/t13-,16?,19?/m0/s1.
What are the key properties of 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 153286832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).