4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C26H35N7O — CID 142456982

IUPAC4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCc1cc2c(NC3CCCCC3)c(C(=O)NC3CCN(c4ncccn4)CC3)cnc2[nH]1
InChIInChI=1S/C26H35N7O/c1-2-7-20-16-21-23(30-18-8-4-3-5-9-18)22(17-29-24(21)31-20)25(34)32-19-10-14-33(15-11-19)26-27-12-6-13-28-26/h6,12-13,16-19H,2-5,7-11,14-15H2,1H3,(H,32,34)(H2,29,30,31)
InChIKeyHGZKGWSASKFWFR-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.45
Rot. Bonds7

About 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142456982) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142456982
Molecular FormulaC26H35N7O
Molecular Weight461.61 g/mol
Exact Mass461.29
IUPAC Name4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCc1cc2c(NC3CCCCC3)c(C(=O)NC3CCN(c4ncccn4)CC3)cnc2[nH]1
InChIInChI=1S/C26H35N7O/c1-2-7-20-16-21-23(30-18-8-4-3-5-9-18)22(17-29-24(21)31-20)25(34)32-19-10-14-33(15-11-19)26-27-12-6-13-28-26/h6,12-13,16-19H,2-5,7-11,14-15H2,1H3,(H,32,34)(H2,29,30,31)
InChIKeyHGZKGWSASKFWFR-UHFFFAOYSA-N
XLogP4.45
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456927
N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 142456930
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753452
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 94816783
N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55721169
2-(ethylamino)-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62832512
2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456958
5-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzamide
CID 55961559
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142456982) is 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CCCc1cc2c(NC3CCCCC3)c(C(=O)NC3CCN(c4ncccn4)CC3)cnc2[nH]1.
What is the InChIKey of 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HGZKGWSASKFWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O/c1-2-7-20-16-21-23(30-18-8-4-3-5-9-18)22(17-29-24(21)31-20)25(34)32-19-10-14-33(15-11-19)26-27-12-6-13-28-26/h6,12-13,16-19H,2-5,7-11,14-15H2,1H3,(H,32,34)(H2,29,30,31).
What are the key properties of 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142456982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).