N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

C27H26N4O — CID 164603331

IUPACN-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@H]1N1CCCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C27H26N4O/c32-27(19-9-7-18(8-10-19)21-11-13-28-26-23(21)12-14-29-26)30-25-22-6-2-1-5-20(22)17-24(25)31-15-3-4-16-31/h1-2,5-14,24-25H,3-4,15-17H2,(H,28,29)(H,30,32)/t24-,25-/m1/s1
InChIKeyOAIUIXFXWXESCE-JWQCQUIFSA-N
MW422.53 g/mol
LogP4.72
Rot. Bonds4

About N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 164603331) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID164603331
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC NameN-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@H]1N1CCCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C27H26N4O/c32-27(19-9-7-18(8-10-19)21-11-13-28-26-23(21)12-14-29-26)30-25-22-6-2-1-5-20(22)17-24(25)31-15-3-4-16-31/h1-2,5-14,24-25H,3-4,15-17H2,(H,28,29)(H,30,32)/t24-,25-/m1/s1
InChIKeyOAIUIXFXWXESCE-JWQCQUIFSA-N
XLogP4.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 164603331) is N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is O=C(N[C@@H]1c2ccccc2C[C@H]1N1CCCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is OAIUIXFXWXESCE-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H26N4O/c32-27(19-9-7-18(8-10-19)21-11-13-28-26-23(21)12-14-29-26)30-25-22-6-2-1-5-20(22)17-24(25)31-15-3-4-16-31/h1-2,5-14,24-25H,3-4,15-17H2,(H,28,29)(H,30,32)/t24-,25-/m1/s1.
What are the key properties of N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 164603331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).