N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C40H37F2N9O4 — CID 166354675

IUPACN-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(CC5CCN(C(=O)c6cc7ccccc7cc6OCc6c(C)noc6C)CC5(F)F)nn4)cc3)c2n1
InChIInChI=1S/C40H37F2N9O4/c1-23-15-24(2)51-37(44-23)33(18-43-51)38(52)45-31-11-9-27(10-12-31)35-20-50(48-46-35)19-30-13-14-49(22-40(30,41)42)39(53)32-16-28-7-5-6-8-29(28)17-36(32)54-21-34-25(3)47-55-26(34)4/h5-12,15-18,20,30H,13-14,19,21-22H2,1-4H3,(H,45,52)
InChIKeyQPVZHRRFRKUFHF-UHFFFAOYSA-N
MW745.79 g/mol
LogP6.99
Rot. Bonds9

About N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166354675) has the molecular formula C40H37F2N9O4 and a molecular weight of 745.79 g/mol. Its IUPAC name is N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166354675
Molecular FormulaC40H37F2N9O4
Molecular Weight745.79 g/mol
Exact Mass745.29
IUPAC NameN-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(CC5CCN(C(=O)c6cc7ccccc7cc6OCc6c(C)noc6C)CC5(F)F)nn4)cc3)c2n1
InChIInChI=1S/C40H37F2N9O4/c1-23-15-24(2)51-37(44-23)33(18-43-51)38(52)45-31-11-9-27(10-12-31)35-20-50(48-46-35)19-30-13-14-49(22-40(30,41)42)39(53)32-16-28-7-5-6-8-29(28)17-36(32)54-21-34-25(3)47-55-26(34)4/h5-12,15-18,20,30H,13-14,19,21-22H2,1-4H3,(H,45,52)
InChIKeyQPVZHRRFRKUFHF-UHFFFAOYSA-N
XLogP6.99
TPSA145.57 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500745.79
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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CID 146236193
US11155557, Example 86
CID 135200202
N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
CID 123580115
N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135186853
2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-ethyl-3-phenylquinazolin-4-one
CID 144824104
N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146236232
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(4-methoxypyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383539
2-amino-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383540
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methylpyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383549

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166354675) is N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(CC5CCN(C(=O)c6cc7ccccc7cc6OCc6c(C)noc6C)CC5(F)F)nn4)cc3)c2n1.
What is the InChIKey of N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QPVZHRRFRKUFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37F2N9O4/c1-23-15-24(2)51-37(44-23)33(18-43-51)38(52)45-31-11-9-27(10-12-31)35-20-50(48-46-35)19-30-13-14-49(22-40(30,41)42)39(53)32-16-28-7-5-6-8-29(28)17-36(32)54-21-34-25(3)47-55-26(34)4/h5-12,15-18,20,30H,13-14,19,21-22H2,1-4H3,(H,45,52).
What are the key properties of N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 745.79 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carbonyl]-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166354675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).