formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole

C23H26N6O2S — CID 142556902

IUPACformonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
SMILESC#N.CS(=O)(=O)N1CCN(c2cc(-n3ncc4ccc(C5CC56CC6)cc43)ccn2)CC1
InChIInChI=1S/C22H25N5O2S.CHN/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;1-2/h2-4,7,12-13,15,19H,5-6,8-11,14H2,1H3;1H
InChIKeyOKNILCBYWWCQIZ-UHFFFAOYSA-N
MW450.57 g/mol
LogP2.91
Rot. Bonds4

About formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole

formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole (PubChem CID 142556902) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole.

Molecular Properties

Compound Nameformonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
PubChem CID142556902
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Nameformonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
SMILESC#N.CS(=O)(=O)N1CCN(c2cc(-n3ncc4ccc(C5CC56CC6)cc43)ccn2)CC1
InChIInChI=1S/C22H25N5O2S.CHN/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;1-2/h2-4,7,12-13,15,19H,5-6,8-11,14H2,1H3;1H
InChIKeyOKNILCBYWWCQIZ-UHFFFAOYSA-N
XLogP2.91
TPSA95.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
CID 174046981
N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine
CID 156518523
1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
CID 174047004
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
CID 118930220
6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
CID 118930242
6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
CID 145028092
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-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550588
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
CID 163361114
(2S)-2-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518841
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206

Frequently Asked Questions

What is the IUPAC name of formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole?
The IUPAC name of formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole (CID 142556902) is formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole.
What is the SMILES notation for formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole?
The canonical SMILES for formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole is C#N.CS(=O)(=O)N1CCN(c2cc(-n3ncc4ccc(C5CC56CC6)cc43)ccn2)CC1.
What is the InChIKey of formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole?
The InChIKey is OKNILCBYWWCQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S.CHN/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;1-2/h2-4,7,12-13,15,19H,5-6,8-11,14H2,1H3;1H.
What are the key properties of formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole?
formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole has a molecular weight of 450.57 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole is sourced from PubChem (CID 142556902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).