(S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide

C16H19F3N4O2S — CID 177051994

IUPAC(S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H]1COCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C16H19F3N4O2S/c1-15(2,3)26(24)22-13-9-25-8-12-11(13)7-23(21-12)10-4-5-20-14(6-10)16(17,18)19/h4-7,13,22H,8-9H2,1-3H3/t13-,26+/m1/s1
InChIKeyQRYQNWGINJBFRW-SRGMZFCMSA-N
MW388.42 g/mol
LogP2.91
Rot. Bonds3

About (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide (PubChem CID 177051994) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide
PubChem CID177051994
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC Name(S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H]1COCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C16H19F3N4O2S/c1-15(2,3)26(24)22-13-9-25-8-12-11(13)7-23(21-12)10-4-5-20-14(6-10)16(17,18)19/h4-7,13,22H,8-9H2,1-3H3/t13-,26+/m1/s1
InChIKeyQRYQNWGINJBFRW-SRGMZFCMSA-N
XLogP2.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide (CID 177051994) is (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@@H]1COCc2nn(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide?
The InChIKey is QRYQNWGINJBFRW-SRGMZFCMSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-15(2,3)26(24)22-13-9-25-8-12-11(13)7-23(21-12)10-4-5-20-14(6-10)16(17,18)19/h4-7,13,22H,8-9H2,1-3H3/t13-,26+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide has a molecular weight of 388.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 177051994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).