4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide

C24H29N5O — CID 178055884

IUPAC4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide
SMILESCN1CCC[C@@H]1c1cc2cnc(N3CCC(c4ccc(C(N)=O)cc4)CC3)cc2[nH]1
InChIInChI=1S/C24H29N5O/c1-28-10-2-3-22(28)21-13-19-15-26-23(14-20(19)27-21)29-11-8-17(9-12-29)16-4-6-18(7-5-16)24(25)30/h4-7,13-15,17,22,27H,2-3,8-12H2,1H3,(H2,25,30)/t22-/m1/s1
InChIKeyKSWOLCBHSSZFLQ-JOCHJYFZSA-N
MW403.53 g/mol
LogP3.81
Rot. Bonds4

About 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide

4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide (PubChem CID 178055884) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide
PubChem CID178055884
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide
SMILESCN1CCC[C@@H]1c1cc2cnc(N3CCC(c4ccc(C(N)=O)cc4)CC3)cc2[nH]1
InChIInChI=1S/C24H29N5O/c1-28-10-2-3-22(28)21-13-19-15-26-23(14-20(19)27-21)29-11-8-17(9-12-29)16-4-6-18(7-5-16)24(25)30/h4-7,13-15,17,22,27H,2-3,8-12H2,1H3,(H2,25,30)/t22-/m1/s1
InChIKeyKSWOLCBHSSZFLQ-JOCHJYFZSA-N
XLogP3.81
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
CID 178055599
1,3-dimethyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-benzotriazole-5-carboxamide
CID 176732936
3-methyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2-benzoxazole-6-carboxamide
CID 176732891
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
CID 176732937
4-[1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]benzamide
CID 46701524
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide
CID 176732932
3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide
CID 66899261
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
6-[4-[3-[2-(5-formamido-5-oxopentan-2-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynyl]piperazin-1-yl]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
CID 178056057
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124987095

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide (CID 178055884) is 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide is CN1CCC[C@@H]1c1cc2cnc(N3CCC(c4ccc(C(N)=O)cc4)CC3)cc2[nH]1.
What is the InChIKey of 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide?
The InChIKey is KSWOLCBHSSZFLQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N5O/c1-28-10-2-3-22(28)21-13-19-15-26-23(14-20(19)27-21)29-11-8-17(9-12-29)16-4-6-18(7-5-16)24(25)30/h4-7,13-15,17,22,27H,2-3,8-12H2,1H3,(H2,25,30)/t22-/m1/s1.
What are the key properties of 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide?
4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 178055884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).