(6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

C22H25FN6O3S — CID 169222683

IUPAC(6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCn1nccc1-c1nn(-c2ccc(F)cn2)c2c1CC[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C2
InChIInChI=1S/C22H25FN6O3S/c1-22(8-10-33(31,32)13-22)26-21(30)14-3-5-16-18(11-14)29(19-6-4-15(23)12-24-19)27-20(16)17-7-9-25-28(17)2/h4,6-7,9,12,14H,3,5,8,10-11,13H2,1-2H3,(H,26,30)/t14-,22+/m1/s1
InChIKeyOKBFVKKKMJGXKB-PEBXRYMYSA-N
MW472.55 g/mol
LogP1.61
Rot. Bonds4

About (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 169222683) has the molecular formula C22H25FN6O3S and a molecular weight of 472.55 g/mol. Its IUPAC name is (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID169222683
Molecular FormulaC22H25FN6O3S
Molecular Weight472.55 g/mol
Exact Mass472.17
IUPAC Name(6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCn1nccc1-c1nn(-c2ccc(F)cn2)c2c1CC[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C2
InChIInChI=1S/C22H25FN6O3S/c1-22(8-10-33(31,32)13-22)26-21(30)14-3-5-16-18(11-14)29(19-6-4-15(23)12-24-19)27-20(16)17-7-9-25-28(17)2/h4,6-7,9,12,14H,3,5,8,10-11,13H2,1-2H3,(H,26,30)/t14-,22+/m1/s1
InChIKeyOKBFVKKKMJGXKB-PEBXRYMYSA-N
XLogP1.61
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 169222683) is (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is Cn1nccc1-c1nn(-c2ccc(F)cn2)c2c1CC[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C2.
What is the InChIKey of (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is OKBFVKKKMJGXKB-PEBXRYMYSA-N. The full InChI is InChI=1S/C22H25FN6O3S/c1-22(8-10-33(31,32)13-22)26-21(30)14-3-5-16-18(11-14)29(19-6-4-15(23)12-24-19)27-20(16)17-7-9-25-28(17)2/h4,6-7,9,12,14H,3,5,8,10-11,13H2,1-2H3,(H,26,30)/t14-,22+/m1/s1.
What are the key properties of (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(5-fluoro-2-pyridinyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 169222683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).