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

C17H19FN8O3S — CID 90199448

IUPAC2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C17H19FN8O3S/c1-30(28,29)25-6-4-24(5-7-25)13-2-3-20-9-12(13)22-17(27)14-15(19)23-26-10-11(18)8-21-16(14)26/h2-3,8-10H,4-7H2,1H3,(H2,19,23)(H,22,27)
InChIKeyYGDRMCVVMUMOQT-UHFFFAOYSA-N
MW434.46 g/mol
LogP0.18
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199448) has the molecular formula C17H19FN8O3S and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199448
Molecular FormulaC17H19FN8O3S
Molecular Weight434.46 g/mol
Exact Mass434.13
IUPAC Name2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C17H19FN8O3S/c1-30(28,29)25-6-4-24(5-7-25)13-2-3-20-9-12(13)22-17(27)14-15(19)23-26-10-11(18)8-21-16(14)26/h2-3,8-10H,4-7H2,1H3,(H2,19,23)(H,22,27)
InChIKeyYGDRMCVVMUMOQT-UHFFFAOYSA-N
XLogP0.18
TPSA138.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 50.18
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-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199448) is 2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)N1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YGDRMCVVMUMOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8O3S/c1-30(28,29)25-6-4-24(5-7-25)13-2-3-20-9-12(13)22-17(27)14-15(19)23-26-10-11(18)8-21-16(14)26/h2-3,8-10H,4-7H2,1H3,(H2,19,23)(H,22,27).
What are the key properties of 2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 0.18, 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-methylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).