N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide

C25H35N9O — CID 68841525

About N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide

N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide (PubChem CID 68841525) has the molecular formula C25H35N9O and a molecular weight of 477.62 g/mol. Its IUPAC name is N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

• Compound Name: N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide
• PubChem CID: 68841525
• Molecular Formula: C25H35N9O
• Molecular Weight: 477.62 g/mol
• Exact Mass: 477.30
• IUPAC Name: N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide
• SMILES: O=C(CCN1CCCCC1)NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CC1
• InChI: InChI=1S/C25H35N9O/c35-23(10-14-32-11-2-1-3-12-32)26-19-8-15-33(16-9-19)25-28-24(21-5-4-13-34(21)31-25)27-22-17-20(29-30-22)18-6-7-18/h4-5,13,17-19H,1-3,6-12,14-16H2,(H,26,35)(H2,27,28,29,30,31)
• InChIKey: HZKAQJDMLJYDBK-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 106.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.62
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide?

The IUPAC name of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide (CID 68841525) is N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide.

What is the SMILES notation for N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide?

The canonical SMILES for N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CC1.

What is the InChIKey of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide?

The InChIKey is HZKAQJDMLJYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O/c35-23(10-14-32-11-2-1-3-12-32)26-19-8-15-33(16-9-19)25-28-24(21-5-4-13-34(21)31-25)27-22-17-20(29-30-22)18-6-7-18/h4-5,13,17-19H,1-3,6-12,14-16H2,(H,26,35)(H2,27,28,29,30,31).

What are the key properties of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide?

N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 477.62 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 68841525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).