N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C25H34N6O — CID 110091482

About N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 110091482) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
• PubChem CID: 110091482
• Molecular Formula: C25H34N6O
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.28
• IUPAC Name: N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
• SMILES: Cc1nc2cc(C3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C
• InChI: InChI=1S/C25H34N6O/c1-17-21(8-9-24(32)28-25(3,4)5)18(2)31-23(27-17)13-22(29-31)20-10-12-30(16-20)15-19-7-6-11-26-14-19/h6-7,11,13-14,20H,8-10,12,15-16H2,1-5H3,(H,28,32)
• InChIKey: GTCKRTKWWUGWHD-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The IUPAC name of N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 110091482) is N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

What is the SMILES notation for N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The canonical SMILES for N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2cc(C3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C.

What is the InChIKey of N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The InChIKey is GTCKRTKWWUGWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-17-21(8-9-24(32)28-25(3,4)5)18(2)31-23(27-17)13-22(29-31)20-10-12-30(16-20)15-19-7-6-11-26-14-19/h6-7,11,13-14,20H,8-10,12,15-16H2,1-5H3,(H,28,32).

What are the key properties of N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 434.59 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 110091482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).