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

C19H19FN10O2 — CID 90199722

IUPAC2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nonc1N1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C19H19FN10O2/c1-11-17(27-32-26-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-19(31)15-16(21)25-30-10-12(20)8-23-18(15)30/h2-3,8-10H,4-7H2,1H3,(H2,21,25)(H,24,31)
InChIKeyIMXDMRASXBZWNY-UHFFFAOYSA-N
MW438.43 g/mol
LogP1.12
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199722) has the molecular formula C19H19FN10O2 and a molecular weight of 438.43 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199722
Molecular FormulaC19H19FN10O2
Molecular Weight438.43 g/mol
Exact Mass438.17
IUPAC Name2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nonc1N1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C19H19FN10O2/c1-11-17(27-32-26-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-19(31)15-16(21)25-30-10-12(20)8-23-18(15)30/h2-3,8-10H,4-7H2,1H3,(H2,21,25)(H,24,31)
InChIKeyIMXDMRASXBZWNY-UHFFFAOYSA-N
XLogP1.12
TPSA143.60 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199722) is 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-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-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nonc1N1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IMXDMRASXBZWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN10O2/c1-11-17(27-32-26-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-19(31)15-16(21)25-30-10-12(20)8-23-18(15)30/h2-3,8-10H,4-7H2,1H3,(H2,21,25)(H,24,31).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).