[(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol

C24H29N5O3 — CID 153284329

IUPAC[(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol
SMILESCc1nc(N2C[C@@]3(CO)C[C@@H]2CO3)cc(-n2ncc3cc(C)c(C4CCOCC4)cc32)n1
InChIInChI=1S/C24H29N5O3/c1-15-7-18-11-25-29(21(18)8-20(15)17-3-5-31-6-4-17)23-9-22(26-16(2)27-23)28-13-24(14-30)10-19(28)12-32-24/h7-9,11,17,19,30H,3-6,10,12-14H2,1-2H3/t19-,24-/m1/s1
InChIKeyHCRDNHRRRCOXJU-NTKDMRAZSA-N
MW435.53 g/mol
LogP2.67
Rot. Bonds4

About [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol

[(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol (PubChem CID 153284329) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol
PubChem CID153284329
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name[(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol
SMILESCc1nc(N2C[C@@]3(CO)C[C@@H]2CO3)cc(-n2ncc3cc(C)c(C4CCOCC4)cc32)n1
InChIInChI=1S/C24H29N5O3/c1-15-7-18-11-25-29(21(18)8-20(15)17-3-5-31-6-4-17)23-9-22(26-16(2)27-23)28-13-24(14-30)10-19(28)12-32-24/h7-9,11,17,19,30H,3-6,10,12-14H2,1-2H3/t19-,24-/m1/s1
InChIKeyHCRDNHRRRCOXJU-NTKDMRAZSA-N
XLogP2.67
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[6-[1-(hydroxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]oxan-3-ol
CID 135274048
4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 146441155
(1S,4S)-5-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 153284271
(1R,4R)-5-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 153284202
[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 153301781
[(2S)-4-[2-methyl-6-[5-methyl-6-(oxan-3-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485704
[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485740
(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine
CID 126485757
6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
CID 163525707
1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol
CID 135276546
[(2S)-4-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol;sulfane
CID 162189720
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
CID 135276394

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol?
The IUPAC name of [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol (CID 153284329) is [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol.
What is the SMILES notation for [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol?
The canonical SMILES for [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol is Cc1nc(N2C[C@@]3(CO)C[C@@H]2CO3)cc(-n2ncc3cc(C)c(C4CCOCC4)cc32)n1.
What is the InChIKey of [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol?
The InChIKey is HCRDNHRRRCOXJU-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-7-18-11-25-29(21(18)8-20(15)17-3-5-31-6-4-17)23-9-22(26-16(2)27-23)28-13-24(14-30)10-19(28)12-32-24/h7-9,11,17,19,30H,3-6,10,12-14H2,1-2H3/t19-,24-/m1/s1.
What are the key properties of [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol?
[(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol has a molecular weight of 435.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-5-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol is sourced from PubChem (CID 153284329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).