2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C23H22N6O — CID 142556735

IUPAC2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESN#CC1(c2ccc3cnn(-c4cc(N5CC6(CCOC6)C5)ncn4)c3c2)CC12CC2
InChIInChI=1S/C23H22N6O/c24-11-23(10-22(23)3-4-22)17-2-1-16-9-27-29(18(16)7-17)20-8-19(25-15-26-20)28-12-21(13-28)5-6-30-14-21/h1-2,7-9,15H,3-6,10,12-14H2
InChIKeyKFLAKDPIOAYIPY-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.99
Rot. Bonds3

About 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 142556735) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID142556735
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESN#CC1(c2ccc3cnn(-c4cc(N5CC6(CCOC6)C5)ncn4)c3c2)CC12CC2
InChIInChI=1S/C23H22N6O/c24-11-23(10-22(23)3-4-22)17-2-1-16-9-27-29(18(16)7-17)20-8-19(25-15-26-20)28-12-21(13-28)5-6-30-14-21/h1-2,7-9,15H,3-6,10,12-14H2
InChIKeyKFLAKDPIOAYIPY-UHFFFAOYSA-N
XLogP2.99
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 142556735) is 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is N#CC1(c2ccc3cnn(-c4cc(N5CC6(CCOC6)C5)ncn4)c3c2)CC12CC2.
What is the InChIKey of 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is KFLAKDPIOAYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-11-23(10-22(23)3-4-22)17-2-1-16-9-27-29(18(16)7-17)20-8-19(25-15-26-20)28-12-21(13-28)5-6-30-14-21/h1-2,7-9,15H,3-6,10,12-14H2.
What are the key properties of 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 142556735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).