1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H17ClFN9OS — CID 143752188

About 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 143752188) has the molecular formula C17H17ClFN9OS and a molecular weight of 449.90 g/mol. Its IUPAC name is 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 143752188
• Molecular Formula: C17H17ClFN9OS
• Molecular Weight: 449.90 g/mol
• Exact Mass: 449.09
• IUPAC Name: 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ncc(F)s1)C1CCCN1c1nc(Cl)nc(Nc2cc(C3CC3)[nH]n2)n1
• InChI: InChI=1S/C17H17ClFN9OS/c18-14-23-15(21-12-6-9(26-27-12)8-3-4-8)25-16(24-14)28-5-1-2-10(28)13(29)22-17-20-7-11(19)30-17/h6-8,10H,1-5H2,(H,20,22,29)(H2,21,23,24,25,26,27)
• InChIKey: OFTOOIWCFTUUSJ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 124.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.90
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 143752188) is 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1ncc(F)s1)C1CCCN1c1nc(Cl)nc(Nc2cc(C3CC3)[nH]n2)n1.

What is the InChIKey of 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is OFTOOIWCFTUUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN9OS/c18-14-23-15(21-12-6-9(26-27-12)8-3-4-8)25-16(24-14)28-5-1-2-10(28)13(29)22-17-20-7-11(19)30-17/h6-8,10H,1-5H2,(H,20,22,29)(H2,21,23,24,25,26,27).

What are the key properties of 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 449.90 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143752188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).