[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol

C26H30FN5O2S — CID 166917383

IUPAC[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol
SMILESCCCn1cc(S(=O)N2CCC(CO)(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1
InChIInChI=1S/C26H30FN5O2S/c1-3-10-30-17-23(16-28-30)35(34)31-11-8-26(18-33,9-12-31)24-14-20-15-29-32(25(20)13-19(24)2)22-6-4-21(27)5-7-22/h4-7,13-17,33H,3,8-12,18H2,1-2H3
InChIKeyGCXBTAOMMYGESX-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.13
Rot. Bonds7

About [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol

[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol (PubChem CID 166917383) has the molecular formula C26H30FN5O2S and a molecular weight of 495.62 g/mol. Its IUPAC name is [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol
PubChem CID166917383
Molecular FormulaC26H30FN5O2S
Molecular Weight495.62 g/mol
Exact Mass495.21
IUPAC Name[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol
SMILESCCCn1cc(S(=O)N2CCC(CO)(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1
InChIInChI=1S/C26H30FN5O2S/c1-3-10-30-17-23(16-28-30)35(34)31-11-8-26(18-33,9-12-31)24-14-20-15-29-32(25(20)13-19(24)2)22-6-4-21(27)5-7-22/h4-7,13-17,33H,3,8-12,18H2,1-2H3
InChIKeyGCXBTAOMMYGESX-UHFFFAOYSA-N
XLogP4.13
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-benzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 166916461
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 166917285
1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfanylpiperidin-4-yl]indazole
CID 166916695
1-(4-fluorophenyl)-6-methyl-5-[1-(1-methylpyrazol-4-yl)sulfonyl-3-(phenoxymethyl)pyrrolidin-3-yl]indazole
CID 166916490
1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole
CID 168961592
[3-benzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166917082
1-(4-fluorophenyl)-6-methyl-5-[5-(1-propylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]indazole
CID 166916265
[(4aR)-1-(4-fluorophenyl)-6-(1-propylpyrazol-4-yl)sulfinyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 135160012
5-[(3aS,5S,6aR)-5-methoxy-5-phenyl-2-(1-propylpyrazol-4-yl)sulfonyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961373
[3-benzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 166916893
5-[7,7-difluoro-3-(1-propylpyrazol-4-yl)sulfonyl-3-azabicyclo[4.1.0]heptan-6-yl]-1-(4-fluorophenyl)-6-methylindole
CID 168865988

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol?
The IUPAC name of [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol (CID 166917383) is [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol?
The canonical SMILES for [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol is CCCn1cc(S(=O)N2CCC(CO)(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1.
What is the InChIKey of [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol?
The InChIKey is GCXBTAOMMYGESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S/c1-3-10-30-17-23(16-28-30)35(34)31-11-8-26(18-33,9-12-31)24-14-20-15-29-32(25(20)13-19(24)2)22-6-4-21(27)5-7-22/h4-7,13-17,33H,3,8-12,18H2,1-2H3.
What are the key properties of [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol?
[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol has a molecular weight of 495.62 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol is sourced from PubChem (CID 166917383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).