2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H33F2N9O2 — CID 129132881

About 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129132881) has the molecular formula C24H33F2N9O2 and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129132881
• Molecular Formula: C24H33F2N9O2
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.27
• IUPAC Name: 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Nc1nn2cc(F)cnc2c1C(=O)NC1CNCC(F)C1N1CCC(C(=O)N2CCN3CC[C@@H]2C3)CC1
• InChI: InChI=1S/C24H33F2N9O2/c25-15-9-29-22-19(21(27)31-35(22)12-15)23(36)30-18-11-28-10-17(26)20(18)33-5-1-14(2-6-33)24(37)34-8-7-32-4-3-16(34)13-32/h9,12,14,16-18,20,28H,1-8,10-11,13H2,(H2,27,31)(H,30,36)/t16-,17?,18?,20?/m1/s1
• InChIKey: DYDFSHGZBXBEJA-UFQJCFOOSA-N
• XLogP: -0.51
• TPSA: 124.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129132881) is 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)NC1CNCC(F)C1N1CCC(C(=O)N2CCN3CC[C@@H]2C3)CC1.

What is the InChIKey of 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DYDFSHGZBXBEJA-UFQJCFOOSA-N. The full InChI is InChI=1S/C24H33F2N9O2/c25-15-9-29-22-19(21(27)31-35(22)12-15)23(36)30-18-11-28-10-17(26)20(18)33-5-1-14(2-6-33)24(37)34-8-7-32-4-3-16(34)13-32/h9,12,14,16-18,20,28H,1-8,10-11,13H2,(H2,27,31)(H,30,36)/t16-,17?,18?,20?/m1/s1.

What are the key properties of 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 517.59 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129132881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).