N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide

C20H20F2N4O2 — CID 131988041

IUPACN-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2cc(F)cc(F)c2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12
InChIInChI=1S/C20H20F2N4O2/c1-11(12-3-4-12)24-20(27)18-19-25-17(13-5-14(21)7-15(22)6-13)8-16(9-28-2)26(19)10-23-18/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,27)/t11-/m0/s1
InChIKeyCBGJKRHPNYTSGR-NSHDSACASA-N
MW386.40 g/mol
LogP3.35
Rot. Bonds6

About N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide

N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131988041) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131988041
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2cc(F)cc(F)c2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12
InChIInChI=1S/C20H20F2N4O2/c1-11(12-3-4-12)24-20(27)18-19-25-17(13-5-14(21)7-15(22)6-13)8-16(9-28-2)26(19)10-23-18/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,27)/t11-/m0/s1
InChIKeyCBGJKRHPNYTSGR-NSHDSACASA-N
XLogP3.35
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131988041) is N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is COCc1cc(-c2cc(F)cc(F)c2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is CBGJKRHPNYTSGR-NSHDSACASA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-11(12-3-4-12)24-20(27)18-19-25-17(13-5-14(21)7-15(22)6-13)8-16(9-28-2)26(19)10-23-18/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,27)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131988041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).