(2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide

C19H21ClN10O2 — CID 59436305

About (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 59436305) has the molecular formula C19H21ClN10O2 and a molecular weight of 456.90 g/mol. Its IUPAC name is (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
• PubChem CID: 59436305
• Molecular Formula: C19H21ClN10O2
• Molecular Weight: 456.90 g/mol
• Exact Mass: 456.15
• IUPAC Name: (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
• SMILES: CO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Cl)nc(Nc3cc(C4CC4)[nH]n3)n2)C1
• InChI: InChI=1S/C19H21ClN10O2/c1-32-11-6-13(16(31)23-15-8-21-4-5-22-15)30(9-11)19-26-17(20)25-18(27-19)24-14-7-12(28-29-14)10-2-3-10/h4-5,7-8,10-11,13H,2-3,6,9H2,1H3,(H,22,23,31)(H2,24,25,26,27,28,29)/t11-,13-/m0/s1
• InChIKey: KKMANUQXHTZLEN-AAEUAGOBSA-N
• XLogP: 1.89
• TPSA: 146.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.90
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 59436305) is (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

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

The canonical SMILES for (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Cl)nc(Nc3cc(C4CC4)[nH]n3)n2)C1.

What is the InChIKey of (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?

The InChIKey is KKMANUQXHTZLEN-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H21ClN10O2/c1-32-11-6-13(16(31)23-15-8-21-4-5-22-15)30(9-11)19-26-17(20)25-18(27-19)24-14-7-12(28-29-14)10-2-3-10/h4-5,7-8,10-11,13H,2-3,6,9H2,1H3,(H,22,23,31)(H2,24,25,26,27,28,29)/t11-,13-/m0/s1.

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

(2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 456.90 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59436305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).