6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole

C16H19N5O2S — CID 97075568

IUPAC6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
SMILESCn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc4cn[nH]c4c3)C2)cn1
InChIInChI=1S/C16H19N5O2S/c1-20-10-13(8-18-20)6-12-4-5-21(11-12)24(22,23)15-3-2-14-9-17-19-16(14)7-15/h2-3,7-10,12H,4-6,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyNUPNISRWCIHKBU-GFCCVEGCSA-N
MW345.43 g/mol
LogP1.55
Rot. Bonds4

About 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole

6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole (PubChem CID 97075568) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole.

Molecular Properties

Compound Name6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
PubChem CID97075568
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
SMILESCn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc4cn[nH]c4c3)C2)cn1
InChIInChI=1S/C16H19N5O2S/c1-20-10-13(8-18-20)6-12-4-5-21(11-12)24(22,23)15-3-2-14-9-17-19-16(14)7-15/h2-3,7-10,12H,4-6,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyNUPNISRWCIHKBU-GFCCVEGCSA-N
XLogP1.55
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
CID 97075567
2-chloro-5-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonylpyridine
CID 96566864
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133341841
N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide
CID 71737649
N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
3-[(1-methylpyrazol-4-yl)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboxamide
CID 136511913
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86772200
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106641
N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71737786
3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71865708

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
The IUPAC name of 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole (CID 97075568) is 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole.
What is the SMILES notation for 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
The canonical SMILES for 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole is Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc4cn[nH]c4c3)C2)cn1.
What is the InChIKey of 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
The InChIKey is NUPNISRWCIHKBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-20-10-13(8-18-20)6-12-4-5-21(11-12)24(22,23)15-3-2-14-9-17-19-16(14)7-15/h2-3,7-10,12H,4-6,11H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole?
6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole has a molecular weight of 345.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonyl-1H-indazole is sourced from PubChem (CID 97075568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).