N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

C29H31N5O3 — CID 164628933

IUPACN-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnn3c(CCC4CC(C)(O)C4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1
InChIInChI=1S/C29H31N5O3/c1-18-12-20(6-10-24(18)28(35)32-21-7-8-21)25-17-31-34-22(9-5-19-14-29(2,36)15-19)13-26(33-27(25)34)37-23-4-3-11-30-16-23/h3-4,6,10-13,16-17,19,21,36H,5,7-9,14-15H2,1-2H3,(H,32,35)
InChIKeyQUPHQWCHLZJYPZ-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.88
Rot. Bonds8

About N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide (PubChem CID 164628933) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
PubChem CID164628933
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnn3c(CCC4CC(C)(O)C4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1
InChIInChI=1S/C29H31N5O3/c1-18-12-20(6-10-24(18)28(35)32-21-7-8-21)25-17-31-34-22(9-5-19-14-29(2,36)15-19)13-26(33-27(25)34)37-23-4-3-11-30-16-23/h3-4,6,10-13,16-17,19,21,36H,5,7-9,14-15H2,1-2H3,(H,32,35)
InChIKeyQUPHQWCHLZJYPZ-UHFFFAOYSA-N
XLogP4.88
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide (CID 164628933) is N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnn3c(CCC4CC(C)(O)C4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
The InChIKey is QUPHQWCHLZJYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-18-12-20(6-10-24(18)28(35)32-21-7-8-21)25-17-31-34-22(9-5-19-14-29(2,36)15-19)13-26(33-27(25)34)37-23-4-3-11-30-16-23/h3-4,6,10-13,16-17,19,21,36H,5,7-9,14-15H2,1-2H3,(H,32,35).
What are the key properties of N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide has a molecular weight of 497.60 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[7-[2-(3-hydroxy-3-methylcyclobutyl)ethyl]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 164628933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).