2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide

C18H21ClN6O — CID 59422105

IUPAC2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)(C)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1
InChIInChI=1S/C18H21ClN6O/c1-10(2)23-17(26)18(3,4)25-14-5-6-20-16(24-14)13-9-22-15-12(13)7-11(19)8-21-15/h5-10H,1-4H3,(H,21,22)(H,23,26)(H,20,24,25)
InChIKeyZQKSMNMTSGFHMC-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.39
Rot. Bonds5

About 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide

2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 59422105) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide
PubChem CID59422105
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)(C)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1
InChIInChI=1S/C18H21ClN6O/c1-10(2)23-17(26)18(3,4)25-14-5-6-20-16(24-14)13-9-22-15-12(13)7-11(19)8-21-15/h5-10H,1-4H3,(H,21,22)(H,23,26)(H,20,24,25)
InChIKeyZQKSMNMTSGFHMC-UHFFFAOYSA-N
XLogP3.39
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide with MolForge

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Related Compounds

Capivasertib
CID 25227436
VX 509
CID 59422203
L-745870
CID 5311200
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CID 17751819
4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 11675388
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582
(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 46870040
N~2~-[2-(5-Chloro-1h-Pyrrolo[2,3-B]pyridin-3-Yl)-5-Fluoropyrimidin-4-Yl]-N,N-Dimethyl-L-Alaninamide
CID 57598054
(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 67969330
N-[1-[5-(3-Chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinyl]acetamide
CID 162366980
L-745870 hydrochloride
CID 11957618

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide (CID 59422105) is 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)(C)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.
What is the InChIKey of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is ZQKSMNMTSGFHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-10(2)23-17(26)18(3,4)25-14-5-6-20-16(24-14)13-9-22-15-12(13)7-11(19)8-21-15/h5-10H,1-4H3,(H,21,22)(H,23,26)(H,20,24,25).
What are the key properties of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide?
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 372.86 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 59422105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).