4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H26ClN5O — CID 155757101

IUPAC4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1cccc(Cl)c1
InChIInChI=1S/C23H26ClN5O/c1-25-23(30)20-12-27-22-19(7-8-26-22)21(20)28-16-10-17-5-6-18(11-16)29(17)13-14-3-2-4-15(24)9-14/h2-4,7-9,12,16-18H,5-6,10-11,13H2,1H3,(H,25,30)(H2,26,27,28)
InChIKeyMTNWPZRNYJWEOJ-UHFFFAOYSA-N
MW423.95 g/mol
LogP4.18
Rot. Bonds5

About 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155757101) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155757101
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1cccc(Cl)c1
InChIInChI=1S/C23H26ClN5O/c1-25-23(30)20-12-27-22-19(7-8-26-22)21(20)28-16-10-17-5-6-18(11-16)29(17)13-14-3-2-4-15(24)9-14/h2-4,7-9,12,16-18H,5-6,10-11,13H2,1H3,(H,25,30)(H2,26,27,28)
InChIKeyMTNWPZRNYJWEOJ-UHFFFAOYSA-N
XLogP4.18
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-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

Y-39983
CID 11507964
4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 11675388
N-{5-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}-2-(4-Chlorophenyl)acetamide
CID 124219454
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 26n
CID 5329242
(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-[1-[5-(3-Chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinyl]acetamide
CID 162366980
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292007
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 72737634
1-(5-chloro-2-methylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73056517
N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 90683761
2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 153307444
JAK1-IN-38a
CID 155757100

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155757101) is 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1cccc(Cl)c1.
What is the InChIKey of 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is MTNWPZRNYJWEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-25-23(30)20-12-27-22-19(7-8-26-22)21(20)28-16-10-17-5-6-18(11-16)29(17)13-14-3-2-4-15(24)9-14/h2-4,7-9,12,16-18H,5-6,10-11,13H2,1H3,(H,25,30)(H2,26,27,28).
What are the key properties of 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 423.95 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155757101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).