1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol

C24H29ClN6O2 — CID 135276399

IUPAC1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
SMILESCc1nc(N2CC(O)C2)cc(-n2ncc3cc(Cl)c(C4CCN(C5CCOC5)CC4)cc32)n1
InChIInChI=1S/C24H29ClN6O2/c1-15-27-23(30-12-19(32)13-30)10-24(28-15)31-22-9-20(21(25)8-17(22)11-26-31)16-2-5-29(6-3-16)18-4-7-33-14-18/h8-11,16,18-19,32H,2-7,12-14H2,1H3
InChIKeyNRSLTPSCIQRDPA-UHFFFAOYSA-N
MW468.99 g/mol
LogP2.93
Rot. Bonds4

About 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol

1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol (PubChem CID 135276399) has the molecular formula C24H29ClN6O2 and a molecular weight of 468.99 g/mol. Its IUPAC name is 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
PubChem CID135276399
Molecular FormulaC24H29ClN6O2
Molecular Weight468.99 g/mol
Exact Mass468.20
IUPAC Name1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
SMILESCc1nc(N2CC(O)C2)cc(-n2ncc3cc(Cl)c(C4CCN(C5CCOC5)CC4)cc32)n1
InChIInChI=1S/C24H29ClN6O2/c1-15-27-23(30-12-19(32)13-30)10-24(28-15)31-22-9-20(21(25)8-17(22)11-26-31)16-2-5-29(6-3-16)18-4-7-33-14-18/h8-11,16,18-19,32H,2-7,12-14H2,1H3
InChIKeyNRSLTPSCIQRDPA-UHFFFAOYSA-N
XLogP2.93
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 126485810
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CID 140318412
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CID 156305184
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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol (CID 135276399) is 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol is Cc1nc(N2CC(O)C2)cc(-n2ncc3cc(Cl)c(C4CCN(C5CCOC5)CC4)cc32)n1.
What is the InChIKey of 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol?
The InChIKey is NRSLTPSCIQRDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O2/c1-15-27-23(30-12-19(32)13-30)10-24(28-15)31-22-9-20(21(25)8-17(22)11-26-31)16-2-5-29(6-3-16)18-4-7-33-14-18/h8-11,16,18-19,32H,2-7,12-14H2,1H3.
What are the key properties of 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol?
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol has a molecular weight of 468.99 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 135276399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).