2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H24FN9O3 — CID 90199737

IUPAC2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCN(C3COC3)CC2)nc1
InChIInChI=1S/C25H24FN9O3/c26-16-10-30-23-21(22(27)32-35(23)12-16)24(36)31-20-11-28-4-3-18(20)15-1-2-19(29-9-15)25(37)34-7-5-33(6-8-34)17-13-38-14-17/h1-4,9-12,17H,5-8,13-14H2,(H2,27,32)(H,31,36)
InChIKeyJZQHYQOXDQETTD-UHFFFAOYSA-N
MW517.53 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199737) has the molecular formula C25H24FN9O3 and a molecular weight of 517.53 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199737
Molecular FormulaC25H24FN9O3
Molecular Weight517.53 g/mol
Exact Mass517.20
IUPAC Name2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCN(C3COC3)CC2)nc1
InChIInChI=1S/C25H24FN9O3/c26-16-10-30-23-21(22(27)32-35(23)12-16)24(36)31-20-11-28-4-3-18(20)15-1-2-19(29-9-15)25(37)34-7-5-33(6-8-34)17-13-38-14-17/h1-4,9-12,17H,5-8,13-14H2,(H2,27,32)(H,31,36)
InChIKeyJZQHYQOXDQETTD-UHFFFAOYSA-N
XLogP1.32
TPSA143.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.53
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199737) is 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCN(C3COC3)CC2)nc1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JZQHYQOXDQETTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN9O3/c26-16-10-30-23-21(22(27)32-35(23)12-16)24(36)31-20-11-28-4-3-18(20)15-1-2-19(29-9-15)25(37)34-7-5-33(6-8-34)17-13-38-14-17/h1-4,9-12,17H,5-8,13-14H2,(H2,27,32)(H,31,36).
What are the key properties of 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 517.53 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).