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

C21H25FN8O2 — CID 90199823

IUPAC2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C21H25FN8O2/c22-14-11-25-20-18(19(23)27-30(20)13-14)21(31)26-16-12-24-4-1-17(16)29-7-5-28(6-8-29)15-2-9-32-10-3-15/h1,4,11-13,15H,2-3,5-10H2,(H2,23,27)(H,26,31)
InChIKeyJHVZPCLSILJPAO-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.40
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199823) has the molecular formula C21H25FN8O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199823
Molecular FormulaC21H25FN8O2
Molecular Weight440.48 g/mol
Exact Mass440.21
IUPAC Name2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C21H25FN8O2/c22-14-11-25-20-18(19(23)27-30(20)13-14)21(31)26-16-12-24-4-1-17(16)29-7-5-28(6-8-29)15-2-9-32-10-3-15/h1,4,11-13,15H,2-3,5-10H2,(H2,23,27)(H,26,31)
InChIKeyJHVZPCLSILJPAO-UHFFFAOYSA-N
XLogP1.40
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199823) is 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JHVZPCLSILJPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN8O2/c22-14-11-25-20-18(19(23)27-30(20)13-14)21(31)26-16-12-24-4-1-17(16)29-7-5-28(6-8-29)15-2-9-32-10-3-15/h1,4,11-13,15H,2-3,5-10H2,(H2,23,27)(H,26,31).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(oxan-4-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).