(2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide

C27H24N4O — CID 67878890

IUPAC(2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2-n2cccc21
InChIInChI=1S/C27H24N4O/c28-22(18-19-10-3-1-4-11-19)27(32)30-26-24-16-9-17-31(24)23-15-8-7-14-21(23)25(29-26)20-12-5-2-6-13-20/h1-17,22,26H,18,28H2,(H,30,32)/t22-,26?/m1/s1
InChIKeyCDFOSNSXXKYQFV-FPSALIRRSA-N
MW420.52 g/mol
LogP4.01
Rot. Bonds5

About (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide

(2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide (PubChem CID 67878890) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide
PubChem CID67878890
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name(2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2-n2cccc21
InChIInChI=1S/C27H24N4O/c28-22(18-19-10-3-1-4-11-19)27(32)30-26-24-16-9-17-31(24)23-15-8-7-14-21(23)25(29-26)20-12-5-2-6-13-20/h1-17,22,26H,18,28H2,(H,30,32)/t22-,26?/m1/s1
InChIKeyCDFOSNSXXKYQFV-FPSALIRRSA-N
XLogP4.01
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57260324
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
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2-methyl-N'-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanediamide
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CID 142005605
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
benzyl N-[2-methylidene-5-phenyl-1-(2,2,2-trifluoroethanehydrazonoyl)-3H-1,4-benzodiazepin-3-yl]carbamate
CID 88945544
2-amino-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide?
The IUPAC name of (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide (CID 67878890) is (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide?
The canonical SMILES for (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide is N[C@H](Cc1ccccc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2-n2cccc21.
What is the InChIKey of (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide?
The InChIKey is CDFOSNSXXKYQFV-FPSALIRRSA-N. The full InChI is InChI=1S/C27H24N4O/c28-22(18-19-10-3-1-4-11-19)27(32)30-26-24-16-9-17-31(24)23-15-8-7-14-21(23)25(29-26)20-12-5-2-6-13-20/h1-17,22,26H,18,28H2,(H,30,32)/t22-,26?/m1/s1.
What are the key properties of (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide?
(2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide has a molecular weight of 420.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenyl-N-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)propanamide is sourced from PubChem (CID 67878890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).