N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide

C24H29ClN6O — CID 87191347

IUPACN-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)C1)C1CCCNC1
InChIInChI=1S/C24H29ClN6O/c25-21-10-16(20-14-28-23-19(20)7-3-9-27-23)11-22(31-21)29-17-5-1-6-18(12-17)30-24(32)15-4-2-8-26-13-15/h3,7,9-11,14-15,17-18,26H,1-2,4-6,8,12-13H2,(H,27,28)(H,29,31)(H,30,32)
InChIKeyFMYIMCAXPYEISO-UHFFFAOYSA-N
MW452.99 g/mol
LogP4.12
Rot. Bonds5

About N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide

N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide (PubChem CID 87191347) has the molecular formula C24H29ClN6O and a molecular weight of 452.99 g/mol. Its IUPAC name is N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide
PubChem CID87191347
Molecular FormulaC24H29ClN6O
Molecular Weight452.99 g/mol
Exact Mass452.21
IUPAC NameN-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)C1)C1CCCNC1
InChIInChI=1S/C24H29ClN6O/c25-21-10-16(20-14-28-23-19(20)7-3-9-27-23)11-22(31-21)29-17-5-1-6-18(12-17)30-24(32)15-4-2-8-26-13-15/h3,7,9-11,14-15,17-18,26H,1-2,4-6,8,12-13H2,(H,27,28)(H,29,31)(H,30,32)
InChIKeyFMYIMCAXPYEISO-UHFFFAOYSA-N
XLogP4.12
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-oxopyrrolidine-2-carboxamide
CID 87191794
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]azetidine-2-carboxamide
CID 140560323
6-chloro-N-(3-piperidin-1-ylcyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191931
N-[2-[[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]sulfamoyl]ethyl]cyclopropanecarboxamide
CID 87192176
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]acetamide
CID 87191733
(2R)-N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-oxopyrrolidine-2-carboxamide
CID 87191787
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-cyclopentylazetidine-2-carboxamide
CID 87191852
1-N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-3-N-(pyridin-3-ylmethyl)cyclohexane-1,3-diamine
CID 50939067
1-[4-[[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]amino]piperidin-1-yl]ethanone
CID 87192364
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-2-(methylamino)acetamide
CID 87192255
tert-butyl (2S)-2-[[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]carbamoyl]azetidine-1-carboxylate
CID 87192501
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-(1H-indol-6-ylmethyl)azetidine-3-carboxamide
CID 87191676

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide (CID 87191347) is N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide is O=C(NC1CCCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)C1)C1CCCNC1.
What is the InChIKey of N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is FMYIMCAXPYEISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O/c25-21-10-16(20-14-28-23-19(20)7-3-9-27-23)11-22(31-21)29-17-5-1-6-18(12-17)30-24(32)15-4-2-8-26-13-15/h3,7,9-11,14-15,17-18,26H,1-2,4-6,8,12-13H2,(H,27,28)(H,29,31)(H,30,32).
What are the key properties of N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide?
N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 452.99 g/mol, XLogP of 4.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 87191347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).