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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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).