carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine

C21H26N10O3 — CID 129094385

About carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine

carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 129094385) has the molecular formula C21H26N10O3 and a molecular weight of 466.51 g/mol. Its IUPAC name is carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine
• PubChem CID: 129094385
• Molecular Formula: C21H26N10O3
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.22
• IUPAC Name: carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine
• SMILES: COCCn1cc(-c2ccc(-n3nnc4cnc(NC5CCCC5)nc43)nc2)cn1.NC(=O)O
• InChI: InChI=1S/C20H23N9O.CH3NO2/c1-30-9-8-28-13-15(11-23-28)14-6-7-18(21-10-14)29-19-17(26-27-29)12-22-20(25-19)24-16-4-2-3-5-16;2-1(3)4/h6-7,10-13,16H,2-5,8-9H2,1H3,(H,22,24,25);2H2,(H,3,4)
• InChIKey: FYAQPRGYPJVURQ-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 171.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine?

The IUPAC name of carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine (CID 129094385) is carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine.

What is the SMILES notation for carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine?

The canonical SMILES for carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine is COCCn1cc(-c2ccc(-n3nnc4cnc(NC5CCCC5)nc43)nc2)cn1.NC(=O)O.

What is the InChIKey of carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine?

The InChIKey is FYAQPRGYPJVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O.CH3NO2/c1-30-9-8-28-13-15(11-23-28)14-6-7-18(21-10-14)29-19-17(26-27-29)12-22-20(25-19)24-16-4-2-3-5-16;2-1(3)4/h6-7,10-13,16H,2-5,8-9H2,1H3,(H,22,24,25);2H2,(H,3,4).

What are the key properties of carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine?

carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 466.51 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for carbamic acid;N-cyclopentyl-3-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 129094385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).