7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

C23H19N5O — CID 157296115

IUPAC7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESC[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1)c1ccccn1
InChIInChI=1S/C23H19N5O/c1-14(19-4-2-3-7-25-19)27-23(29)21-11-16-10-17-13-26-22(15-5-8-24-9-6-15)18(17)12-20(16)28-21/h2-10,12,14H,11,13H2,1H3,(H,27,29)/t14-/m1/s1
InChIKeyBBJCBIIHQWWGPK-CQSZACIVSA-N
MW381.44 g/mol
LogP3.33
Rot. Bonds4

About 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (PubChem CID 157296115) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.

Molecular Properties

Compound Name7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
PubChem CID157296115
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESC[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1)c1ccccn1
InChIInChI=1S/C23H19N5O/c1-14(19-4-2-3-7-25-19)27-23(29)21-11-16-10-17-13-26-22(15-5-8-24-9-6-15)18(17)12-20(16)28-21/h2-10,12,14H,11,13H2,1H3,(H,27,29)/t14-/m1/s1
InChIKeyBBJCBIIHQWWGPK-CQSZACIVSA-N
XLogP3.33
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 158275877
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159459998
7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159355923
2-(4-methylphenyl)-4-pyridin-4-yl-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 53200674
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248
6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397582
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The IUPAC name of 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (CID 157296115) is 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.
What is the SMILES notation for 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The canonical SMILES for 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is C[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1)c1ccccn1.
What is the InChIKey of 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The InChIKey is BBJCBIIHQWWGPK-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19N5O/c1-14(19-4-2-3-7-25-19)27-23(29)21-11-16-10-17-13-26-22(15-5-8-24-9-6-15)18(17)12-20(16)28-21/h2-10,12,14H,11,13H2,1H3,(H,27,29)/t14-/m1/s1.
What are the key properties of 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is sourced from PubChem (CID 157296115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).