4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide

C19H21F3N6O2 — CID 24937564

IUPAC4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide
SMILESCC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ncc(C(N)=O)c(NCC4CC4)n3)c2C1
InChIInChI=1S/C19H21F3N6O2/c1-18(2)5-11-13(12(29)6-18)14(19(20,21)22)27-28(11)17-25-8-10(15(23)30)16(26-17)24-7-9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,23,30)(H,24,25,26)
InChIKeyRTZIWRKXSWGNGF-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.76
Rot. Bonds5

About 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide

4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide (PubChem CID 24937564) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide
PubChem CID24937564
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide
SMILESCC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ncc(C(N)=O)c(NCC4CC4)n3)c2C1
InChIInChI=1S/C19H21F3N6O2/c1-18(2)5-11-13(12(29)6-18)14(19(20,21)22)27-28(11)17-25-8-10(15(23)30)16(26-17)24-7-9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,23,30)(H,24,25,26)
InChIKeyRTZIWRKXSWGNGF-UHFFFAOYSA-N
XLogP2.76
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide (CID 24937564) is 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide is CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ncc(C(N)=O)c(NCC4CC4)n3)c2C1.
What is the InChIKey of 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide?
The InChIKey is RTZIWRKXSWGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c1-18(2)5-11-13(12(29)6-18)14(19(20,21)22)27-28(11)17-25-8-10(15(23)30)16(26-17)24-7-9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,23,30)(H,24,25,26).
What are the key properties of 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide?
4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-2-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 24937564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).