6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H19ClFN5O — CID 4192112

IUPAC6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccnc3)cnn2c(C)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C22H19ClFN5O/c1-13-16(9-17-19(23)6-3-7-20(17)24)14(2)29-21(28-13)18(12-27-29)22(30)26-11-15-5-4-8-25-10-15/h3-8,10,12H,9,11H2,1-2H3,(H,26,30)
InChIKeyVFMPVPHETPEODQ-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.05
Rot. Bonds5

About 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4192112) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4192112
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC Name6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccnc3)cnn2c(C)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C22H19ClFN5O/c1-13-16(9-17-19(23)6-3-7-20(17)24)14(2)29-21(28-13)18(12-27-29)22(30)26-11-15-5-4-8-25-10-15/h3-8,10,12H,9,11H2,1-2H3,(H,26,30)
InChIKeyVFMPVPHETPEODQ-UHFFFAOYSA-N
XLogP4.05
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4192112) is 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3cccnc3)cnn2c(C)c1Cc1c(F)cccc1Cl.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VFMPVPHETPEODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c1-13-16(9-17-19(23)6-3-7-20(17)24)14(2)29-21(28-13)18(12-27-29)22(30)26-11-15-5-4-8-25-10-15/h3-8,10,12H,9,11H2,1-2H3,(H,26,30).
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 423.88 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4192112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).