(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

C27H29N5O — CID 175911550

IUPAC(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
SMILESCc1cc(-n2ncc3ccc([C@@]4(C#N)CC45CC5)cc32)cc(N2CC3(C(C)(C)O)CC2C3)n1
InChIInChI=1S/C27H29N5O/c1-17-8-20(10-23(30-17)31-16-26(24(2,3)33)11-21(31)12-26)32-22-9-19(5-4-18(22)13-29-32)27(15-28)14-25(27)6-7-25/h4-5,8-10,13,21,33H,6-7,11-12,14,16H2,1-3H3/t21?,26?,27-/m0/s1
InChIKeyLCWJJHKDWXTPPD-OFHXQBPLSA-N
MW439.56 g/mol
LogP4.41
Rot. Bonds4

About (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

(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 (PubChem CID 175911550) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175911550
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name(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
SMILESCc1cc(-n2ncc3ccc([C@@]4(C#N)CC45CC5)cc32)cc(N2CC3(C(C)(C)O)CC2C3)n1
InChIInChI=1S/C27H29N5O/c1-17-8-20(10-23(30-17)31-16-26(24(2,3)33)11-21(31)12-26)32-22-9-19(5-4-18(22)13-29-32)27(15-28)14-25(27)6-7-25/h4-5,8-10,13,21,33H,6-7,11-12,14,16H2,1-3H3/t21?,26?,27-/m0/s1
InChIKeyLCWJJHKDWXTPPD-OFHXQBPLSA-N
XLogP4.41
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-n2ncc3ccc([C@@]4(C#N)CC45CC5)cc32)cc(N2CC3(C(C)(C)O)CC2C3)n1.
What is the InChIKey of (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?
The InChIKey is LCWJJHKDWXTPPD-OFHXQBPLSA-N. The full InChI is InChI=1S/C27H29N5O/c1-17-8-20(10-23(30-17)31-16-26(24(2,3)33)11-21(31)12-26)32-22-9-19(5-4-18(22)13-29-32)27(15-28)14-25(27)6-7-25/h4-5,8-10,13,21,33H,6-7,11-12,14,16H2,1-3H3/t21?,26?,27-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 439.56 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175911550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).