1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol

C24H27ClN6O3 — CID 166099387

IUPAC1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol
SMILESCC(C)Oc1ccc2c(c1)c(-c1nccc(-n3cc(Cl)c(C(C)O)n3)n1)nn2C1CCCCO1
InChIInChI=1S/C24H27ClN6O3/c1-14(2)34-16-7-8-19-17(12-16)23(29-31(19)21-6-4-5-11-33-21)24-26-10-9-20(27-24)30-13-18(25)22(28-30)15(3)32/h7-10,12-15,21,32H,4-6,11H2,1-3H3
InChIKeyAJOQHYFTBXUJGA-UHFFFAOYSA-N
MW482.97 g/mol
LogP4.87
Rot. Bonds6

About 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol

1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol (PubChem CID 166099387) has the molecular formula C24H27ClN6O3 and a molecular weight of 482.97 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol
PubChem CID166099387
Molecular FormulaC24H27ClN6O3
Molecular Weight482.97 g/mol
Exact Mass482.18
IUPAC Name1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol
SMILESCC(C)Oc1ccc2c(c1)c(-c1nccc(-n3cc(Cl)c(C(C)O)n3)n1)nn2C1CCCCO1
InChIInChI=1S/C24H27ClN6O3/c1-14(2)34-16-7-8-19-17(12-16)23(29-31(19)21-6-4-5-11-33-21)24-26-10-9-20(27-24)30-13-18(25)22(28-30)15(3)32/h7-10,12-15,21,32H,4-6,11H2,1-3H3
InChIKeyAJOQHYFTBXUJGA-UHFFFAOYSA-N
XLogP4.87
TPSA100.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol
CID 166099324
2-methyl-3-[3-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]prop-2-enenitrile
CID 166099368
3-(2-chloropyrimidin-5-yl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 169101649
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156565616
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156578188
methyl 3-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]benzoate
CID 135298188
[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-diethoxyphosphorylmethanol
CID 134593757
3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137657
2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-ol
CID 170708748
CID 171408859
CID 171408859
1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-N-methylmethanimine
CID 170288490
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol?
The IUPAC name of 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol (CID 166099387) is 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol?
The canonical SMILES for 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol is CC(C)Oc1ccc2c(c1)c(-c1nccc(-n3cc(Cl)c(C(C)O)n3)n1)nn2C1CCCCO1.
What is the InChIKey of 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol?
The InChIKey is AJOQHYFTBXUJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3/c1-14(2)34-16-7-8-19-17(12-16)23(29-31(19)21-6-4-5-11-33-21)24-26-10-9-20(27-24)30-13-18(25)22(28-30)15(3)32/h7-10,12-15,21,32H,4-6,11H2,1-3H3.
What are the key properties of 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol?
1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol has a molecular weight of 482.97 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 166099387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).