N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C22H30FN3O2 — CID 158884358

IUPACN-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(OCC4CC(C)(F)C4)CC3)c2n1
InChIInChI=1S/C22H30FN3O2/c1-14-10-15(2)26-9-8-19(20(26)24-14)21(27)25-17-4-6-18(7-5-17)28-13-16-11-22(3,23)12-16/h8-10,16-18H,4-7,11-13H2,1-3H3,(H,25,27)
InChIKeyYNCSOBJVYIBHKR-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.15
Rot. Bonds5

About N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 158884358) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID158884358
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC NameN-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(OCC4CC(C)(F)C4)CC3)c2n1
InChIInChI=1S/C22H30FN3O2/c1-14-10-15(2)26-9-8-19(20(26)24-14)21(27)25-17-4-6-18(7-5-17)28-13-16-11-22(3,23)12-16/h8-10,16-18H,4-7,11-13H2,1-3H3,(H,25,27)
InChIKeyYNCSOBJVYIBHKR-UHFFFAOYSA-N
XLogP4.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 158884358) is N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCC(OCC4CC(C)(F)C4)CC3)c2n1.
What is the InChIKey of N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is YNCSOBJVYIBHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-14-10-15(2)26-9-8-19(20(26)24-14)21(27)25-17-4-6-18(7-5-17)28-13-16-11-22(3,23)12-16/h8-10,16-18H,4-7,11-13H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-3-methylcyclobutyl)methoxy]cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 158884358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).