propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

C20H27N5O4 — CID 169079558

About propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (PubChem CID 169079558) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

Molecular Properties

• Compound Name: propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
• PubChem CID: 169079558
• Molecular Formula: C20H27N5O4
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.21
• IUPAC Name: propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
• SMILES: CCCOC(=O)N[C@H]1CC[C@@H](c2cc(NC(=O)Cc3ccc(OC)nc3)n[nH]2)C1
• InChI: InChI=1S/C20H27N5O4/c1-3-8-29-20(27)22-15-6-5-14(10-15)16-11-17(25-24-16)23-18(26)9-13-4-7-19(28-2)21-12-13/h4,7,11-12,14-15H,3,5-6,8-10H2,1-2H3,(H,22,27)(H2,23,24,25,26)/t14-,15+/m1/s1
• InChIKey: NQSIFOBVJDKNOQ-CABCVRRESA-N
• XLogP: 2.77
• TPSA: 118.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

The IUPAC name of propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (CID 169079558) is propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

What is the SMILES notation for propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

The canonical SMILES for propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is CCCOC(=O)N[C@H]1CC[C@@H](c2cc(NC(=O)Cc3ccc(OC)nc3)n[nH]2)C1.

What is the InChIKey of propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

The InChIKey is NQSIFOBVJDKNOQ-CABCVRRESA-N. The full InChI is InChI=1S/C20H27N5O4/c1-3-8-29-20(27)22-15-6-5-14(10-15)16-11-17(25-24-16)23-18(26)9-13-4-7-19(28-2)21-12-13/h4,7,11-12,14-15H,3,5-6,8-10H2,1-2H3,(H,22,27)(H2,23,24,25,26)/t14-,15+/m1/s1.

What are the key properties of propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 169079558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).