N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

About N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 59511483) has the molecular formula C24H24N10O4 and a molecular weight of 516.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name	N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
PubChem CID	59511483
Molecular Formula	C24H24N10O4
Molecular Weight	516.52 g/mol
Exact Mass	516.20
IUPAC Name	N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILES	COc1cnc(C(=O)NC2CC2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12
InChI	InChI=1S/C24H24N10O4/c1-38-16-13-27-20(22(36)28-14-5-6-14)19-18(16)15(12-26-19)21(35)23(37)32-8-10-33(11-9-32)24-29-30-31-34(24)17-4-2-3-7-25-17/h2-4,7,12-14,26H,5-6,8-11H2,1H3,(H,28,36)
InChIKey	WLRPVFIIFFEFED-UHFFFAOYSA-N
XLogP	0.37
TPSA	164.12 Å²
H-Bond Donors	2
H-Bond Acceptors	11
Rotatable Bonds	7
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.52
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

The IUPAC name of N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (CID 59511483) is N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

The canonical SMILES for N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is COc1cnc(C(=O)NC2CC2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12.

What is the InChIKey of N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

The InChIKey is WLRPVFIIFFEFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O4/c1-38-16-13-27-20(22(36)28-14-5-6-14)19-18(16)15(12-26-19)21(35)23(37)32-8-10-33(11-9-32)24-29-30-31-34(24)17-4-2-3-7-25-17/h2-4,7,12-14,26H,5-6,8-11H2,1H3,(H,28,36).

What are the key properties of N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 516.52 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 59511483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).