2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol

C24H29N5O — CID 138550296

IUPAC2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
SMILESCC1(c2ccc3cnn(-c4cc(N5CC6(C(C)(C)O)CC5C6)ncn4)c3c2)CCC1
InChIInChI=1S/C24H29N5O/c1-22(2,30)24-11-18(12-24)28(14-24)20-10-21(26-15-25-20)29-19-9-17(23(3)7-4-8-23)6-5-16(19)13-27-29/h5-6,9-10,13,15,18,30H,4,7-8,11-12,14H2,1-3H3
InChIKeyWXCDRONBCMZQGW-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.00
Rot. Bonds4

About 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol

2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol (PubChem CID 138550296) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
PubChem CID138550296
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
SMILESCC1(c2ccc3cnn(-c4cc(N5CC6(C(C)(C)O)CC5C6)ncn4)c3c2)CCC1
InChIInChI=1S/C24H29N5O/c1-22(2,30)24-11-18(12-24)28(14-24)20-10-21(26-15-25-20)29-19-9-17(23(3)7-4-8-23)6-5-16(19)13-27-29/h5-6,9-10,13,15,18,30H,4,7-8,11-12,14H2,1-3H3
InChIKeyWXCDRONBCMZQGW-UHFFFAOYSA-N
XLogP4.00
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol (CID 138550296) is 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol is CC1(c2ccc3cnn(-c4cc(N5CC6(C(C)(C)O)CC5C6)ncn4)c3c2)CCC1.
What is the InChIKey of 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
The InChIKey is WXCDRONBCMZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-22(2,30)24-11-18(12-24)28(14-24)20-10-21(26-15-25-20)29-19-9-17(23(3)7-4-8-23)6-5-16(19)13-27-29/h5-6,9-10,13,15,18,30H,4,7-8,11-12,14H2,1-3H3.
What are the key properties of 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol has a molecular weight of 403.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol is sourced from PubChem (CID 138550296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).