N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H24FN5O — CID 92626543

IUPACN-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)[C@@H](CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)N(C)C
InChIInChI=1S/C20H24FN5O/c1-13(2)18(25(3)4)12-23-20(27)16-11-19-22-10-9-17(26(19)24-16)14-5-7-15(21)8-6-14/h5-11,13,18H,12H2,1-4H3,(H,23,27)/t18-/m1/s1
InChIKeyCMZMNBCBRNSOBJ-GOSISDBHSA-N
MW369.44 g/mol
LogP2.85
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 92626543) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID92626543
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)[C@@H](CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)N(C)C
InChIInChI=1S/C20H24FN5O/c1-13(2)18(25(3)4)12-23-20(27)16-11-19-22-10-9-17(26(19)24-16)14-5-7-15(21)8-6-14/h5-11,13,18H,12H2,1-4H3,(H,23,27)/t18-/m1/s1
InChIKeyCMZMNBCBRNSOBJ-GOSISDBHSA-N
XLogP2.85
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 92626543) is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)[C@@H](CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CMZMNBCBRNSOBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-13(2)18(25(3)4)12-23-20(27)16-11-19-22-10-9-17(26(19)24-16)14-5-7-15(21)8-6-14/h5-11,13,18H,12H2,1-4H3,(H,23,27)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 92626543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).