N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

C24H22N4O3 — CID 71047064

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C24H22N4O3/c29-14-18(9-15-5-2-1-3-6-15)27-22(30)20-10-16-11-24(12-17(16)13-26-20)19-7-4-8-25-21(19)28-23(24)31/h1-8,10,13,18,29H,9,11-12,14H2,(H,27,30)(H,25,28,31)/t18-,24?/m1/s1
InChIKeyJYOWAJFOLLZFJH-QFADGXAASA-N
MW414.47 g/mol
LogP1.80
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide (PubChem CID 71047064) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
PubChem CID71047064
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C24H22N4O3/c29-14-18(9-15-5-2-1-3-6-15)27-22(30)20-10-16-11-24(12-17(16)13-26-20)19-7-4-8-25-21(19)28-23(24)31/h1-8,10,13,18,29H,9,11-12,14H2,(H,27,30)(H,25,28,31)/t18-,24?/m1/s1
InChIKeyJYOWAJFOLLZFJH-QFADGXAASA-N
XLogP1.80
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide (CID 71047064) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The InChIKey is JYOWAJFOLLZFJH-QFADGXAASA-N. The full InChI is InChI=1S/C24H22N4O3/c29-14-18(9-15-5-2-1-3-6-15)27-22(30)20-10-16-11-24(12-17(16)13-26-20)19-7-4-8-25-21(19)28-23(24)31/h1-8,10,13,18,29H,9,11-12,14H2,(H,27,30)(H,25,28,31)/t18-,24?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide is sourced from PubChem (CID 71047064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).