N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide

C18H15F2N5O2 — CID 139413132

IUPACN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)ncn1
InChIInChI=1S/C18H15F2N5O2/c1-9-6-14(22-8-21-9)17(26)23-13-5-3-10-7-11(2-4-12(10)13)16-24-18(15(19)20)27-25-16/h2,4,6-8,13,15H,3,5H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyWJNBTJPSXCYSKI-CYBMUJFWSA-N
MW371.35 g/mol
LogP3.19
Rot. Bonds4

About N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 139413132) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID139413132
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)ncn1
InChIInChI=1S/C18H15F2N5O2/c1-9-6-14(22-8-21-9)17(26)23-13-5-3-10-7-11(2-4-12(10)13)16-24-18(15(19)20)27-25-16/h2,4,6-8,13,15H,3,5H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyWJNBTJPSXCYSKI-CYBMUJFWSA-N
XLogP3.19
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide (CID 139413132) is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)ncn1.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is WJNBTJPSXCYSKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-9-6-14(22-8-21-9)17(26)23-13-5-3-10-7-11(2-4-12(10)13)16-24-18(15(19)20)27-25-16/h2,4,6-8,13,15H,3,5H2,1H3,(H,23,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 139413132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).