N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H22F4N6O — CID 44524052

IUPACN-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(Cc3cncn3Cc3ccccc3F)CC3CC3)cc2n1
InChIInChI=1S/C24H22F4N6O/c1-15-8-21(24(26,27)28)34-22(30-15)9-20(31-34)23(35)32(11-16-6-7-16)13-18-10-29-14-33(18)12-17-4-2-3-5-19(17)25/h2-5,8-10,14,16H,6-7,11-13H2,1H3
InChIKeyNTPQYPFFOIGZSJ-UHFFFAOYSA-N
MW486.47 g/mol
LogP4.49
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44524052) has the molecular formula C24H22F4N6O and a molecular weight of 486.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44524052
Molecular FormulaC24H22F4N6O
Molecular Weight486.47 g/mol
Exact Mass486.18
IUPAC NameN-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(Cc3cncn3Cc3ccccc3F)CC3CC3)cc2n1
InChIInChI=1S/C24H22F4N6O/c1-15-8-21(24(26,27)28)34-22(30-15)9-20(31-34)23(35)32(11-16-6-7-16)13-18-10-29-14-33(18)12-17-4-2-3-5-19(17)25/h2-5,8-10,14,16H,6-7,11-13H2,1H3
InChIKeyNTPQYPFFOIGZSJ-UHFFFAOYSA-N
XLogP4.49
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 44524052) is N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)N(Cc3cncn3Cc3ccccc3F)CC3CC3)cc2n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NTPQYPFFOIGZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N6O/c1-15-8-21(24(26,27)28)34-22(30-15)9-20(31-34)23(35)32(11-16-6-7-16)13-18-10-29-14-33(18)12-17-4-2-3-5-19(17)25/h2-5,8-10,14,16H,6-7,11-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 486.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44524052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).