2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20FN7O3S — CID 90199681

IUPAC2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)CN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CCS1(=O)=O
InChIInChI=1S/C18H20FN7O3S/c1-18(2)10-25(5-6-30(18,28)29)13-3-4-21-8-12(13)23-17(27)14-15(20)24-26-9-11(19)7-22-16(14)26/h3-4,7-9H,5-6,10H2,1-2H3,(H2,20,24)(H,23,27)
InChIKeyYKVQJDLARLBPAN-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.11
Rot. Bonds3

About 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199681) has the molecular formula C18H20FN7O3S and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199681
Molecular FormulaC18H20FN7O3S
Molecular Weight433.47 g/mol
Exact Mass433.13
IUPAC Name2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)CN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CCS1(=O)=O
InChIInChI=1S/C18H20FN7O3S/c1-18(2)10-25(5-6-30(18,28)29)13-3-4-21-8-12(13)23-17(27)14-15(20)24-26-9-11(19)7-22-16(14)26/h3-4,7-9H,5-6,10H2,1-2H3,(H2,20,24)(H,23,27)
InChIKeyYKVQJDLARLBPAN-UHFFFAOYSA-N
XLogP1.11
TPSA135.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449296
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457559
N-[(1S)-2,2-difluorocyclobutyl]-5-[[1-(3-fluoropyridin-2-yl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560738
N-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253399
2,6-difluoro-N-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50994975
N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554923
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 67053220
N-[1-(5-methyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328387
N-[1-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328491
N-[1-(2-fluoro-4-methylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328492
US10774086, Example 28
CID 134551655
US10774086, Example 43
CID 134551665

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199681) is 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)CN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CCS1(=O)=O.
What is the InChIKey of 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YKVQJDLARLBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O3S/c1-18(2)10-25(5-6-30(18,28)29)13-3-4-21-8-12(13)23-17(27)14-15(20)24-26-9-11(19)7-22-16(14)26/h3-4,7-9H,5-6,10H2,1-2H3,(H2,20,24)(H,23,27).
What are the key properties of 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).