(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C19H17N5O — CID 156518851

IUPAC(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(CO)n1
InChIInChI=1S/C19H17N5O/c1-12-6-17(23-16(9-25)22-12)24-15-7-14(3-2-13(15)8-21-24)19(11-20)10-18(19)4-5-18/h2-3,6-8,25H,4-5,9-10H2,1H3/t19-/m1/s1
InChIKeyZZMRPAQHMTYJJX-LJQANCHMSA-N
MW331.38 g/mol
LogP2.56
Rot. Bonds3

About (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 156518851) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID156518851
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(CO)n1
InChIInChI=1S/C19H17N5O/c1-12-6-17(23-16(9-25)22-12)24-15-7-14(3-2-13(15)8-21-24)19(11-20)10-18(19)4-5-18/h2-3,6-8,25H,4-5,9-10H2,1H3/t19-/m1/s1
InChIKeyZZMRPAQHMTYJJX-LJQANCHMSA-N
XLogP2.56
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156519014
2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544336
2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556867
2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544226
(2S)-2-[1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550614
(2S)-2-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methoxypyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550530
(2R)-2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 175911550
2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556899
1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole
CID 156518949
(2S)-2-[1-[6-[(2R,3S)-3-(2-hydroxypropan-2-yl)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550516
(2R)-2-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylsulfanylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 175911545
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 156518851) is (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is Cc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(CO)n1.
What is the InChIKey of (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is ZZMRPAQHMTYJJX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-6-17(23-16(9-25)22-12)24-15-7-14(3-2-13(15)8-21-24)19(11-20)10-18(19)4-5-18/h2-3,6-8,25H,4-5,9-10H2,1H3/t19-/m1/s1.
What are the key properties of (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 156518851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).