5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19ClFN5O2 — CID 176913942

IUPAC5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nc3c(C(=O)NC4CC4)c(F)nn23)cc1
InChIInChI=1S/C19H19ClFN5O2/c1-25(10-11-3-7-13(28-2)8-4-11)15-9-14(20)23-18-16(17(21)24-26(15)18)19(27)22-12-5-6-12/h3-4,7-9,12H,5-6,10H2,1-2H3,(H,22,27)
InChIKeySFKBTFWFJNLKKU-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.06
Rot. Bonds6

About 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 176913942) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID176913942
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nc3c(C(=O)NC4CC4)c(F)nn23)cc1
InChIInChI=1S/C19H19ClFN5O2/c1-25(10-11-3-7-13(28-2)8-4-11)15-9-14(20)23-18-16(17(21)24-26(15)18)19(27)22-12-5-6-12/h3-4,7-9,12H,5-6,10H2,1-2H3,(H,22,27)
InChIKeySFKBTFWFJNLKKU-UHFFFAOYSA-N
XLogP3.06
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 49137205
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110307110
1-[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]indole-3-carboxylic acid
CID 134524259
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
6-chloro-N-[(3R)-1-ethyl-2-oxoazetidin-3-yl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 169148321
2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 135356461
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118155218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 176913942) is 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CN(C)c2cc(Cl)nc3c(C(=O)NC4CC4)c(F)nn23)cc1.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SFKBTFWFJNLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-25(10-11-3-7-13(28-2)8-4-11)15-9-14(20)23-18-16(17(21)24-26(15)18)19(27)22-12-5-6-12/h3-4,7-9,12H,5-6,10H2,1-2H3,(H,22,27).
What are the key properties of 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.85 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-fluoro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176913942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).