1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole

C22H25N5O2S — CID 174046981

IUPAC1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
SMILESCS(=O)(=O)N1CCN(c2cc(-n3ncc4ccc([C@@H]5CC56CC6)cc43)ccn2)CC1
InChIInChI=1S/C22H25N5O2S/c1-30(28,29)26-10-8-25(9-11-26)21-13-18(4-7-23-21)27-20-12-16(2-3-17(20)15-24-27)19-14-22(19)5-6-22/h2-4,7,12-13,15,19H,5-6,8-11,14H2,1H3/t19-/m0/s1
InChIKeyWVFCDOBUVIOZOU-IBGZPJMESA-N
MW423.54 g/mol
LogP2.77
Rot. Bonds4

About 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole

1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole (PubChem CID 174046981) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
PubChem CID174046981
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
SMILESCS(=O)(=O)N1CCN(c2cc(-n3ncc4ccc([C@@H]5CC56CC6)cc43)ccn2)CC1
InChIInChI=1S/C22H25N5O2S/c1-30(28,29)26-10-8-25(9-11-26)21-13-18(4-7-23-21)27-20-12-16(2-3-17(20)15-24-27)19-14-22(19)5-6-22/h2-4,7,12-13,15,19H,5-6,8-11,14H2,1H3/t19-/m0/s1
InChIKeyWVFCDOBUVIOZOU-IBGZPJMESA-N
XLogP2.77
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
CID 142556902
N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine
CID 156518523
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
CID 118930220
1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
CID 174047004
6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
CID 145028092
6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
CID 118930242
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
CID 163234389
(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
CID 156661933
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
CID 163361114
4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 156661924
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
CID 163234279
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
The IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole (CID 174046981) is 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole.
What is the SMILES notation for 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
The canonical SMILES for 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole is CS(=O)(=O)N1CCN(c2cc(-n3ncc4ccc([C@@H]5CC56CC6)cc43)ccn2)CC1.
What is the InChIKey of 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
The InChIKey is WVFCDOBUVIOZOU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-30(28,29)26-10-8-25(9-11-26)21-13-18(4-7-23-21)27-20-12-16(2-3-17(20)15-24-27)19-14-22(19)5-6-22/h2-4,7,12-13,15,19H,5-6,8-11,14H2,1H3/t19-/m0/s1.
What are the key properties of 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole has a molecular weight of 423.54 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole is sourced from PubChem (CID 174046981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).