(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

C19H26N6O — CID 92552434

About (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 92552434) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 92552434
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
• SMILES: CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n[nH]1
• InChI: InChI=1S/C19H26N6O/c1-19(2,3)16-9-14(23-24-16)18(26)25-8-4-5-15(25)17-21-11-12-10-20-7-6-13(12)22-17/h9,11,15,20H,4-8,10H2,1-3H3,(H,23,24)/t15-/m1/s1
• InChIKey: RYEVLMQJQZMDCV-OAHLLOKOSA-N
• XLogP: 2.12
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 92552434) is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n[nH]1.

What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is RYEVLMQJQZMDCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(2,3)16-9-14(23-24-16)18(26)25-8-4-5-15(25)17-21-11-12-10-20-7-6-13(12)22-17/h9,11,15,20H,4-8,10H2,1-3H3,(H,23,24)/t15-/m1/s1.

What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?

(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92552434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).