1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H28N6O2 — CID 130375370

About 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375370) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 130375370
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CC(NC(=O)c1nn(CCO)c2c1CN(Cc1ncc3n1C=CC3)CC2)c1ccccc1
• InChI: InChI=1S/C24H28N6O2/c1-17(18-6-3-2-4-7-18)26-24(32)23-20-15-28(11-9-21(20)30(27-23)12-13-31)16-22-25-14-19-8-5-10-29(19)22/h2-7,10,14,17,31H,8-9,11-13,15-16H2,1H3,(H,26,32)
• InChIKey: KGHBPEKPEAKOIZ-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 88.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375370) is 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(NC(=O)c1nn(CCO)c2c1CN(Cc1ncc3n1C=CC3)CC2)c1ccccc1.

What is the InChIKey of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is KGHBPEKPEAKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17(18-6-3-2-4-7-18)26-24(32)23-20-15-28(11-9-21(20)30(27-23)12-13-31)16-22-25-14-19-8-5-10-29(19)22/h2-7,10,14,17,31H,8-9,11-13,15-16H2,1H3,(H,26,32).

What are the key properties of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 130375370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).