N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16F2N6O — CID 139390508

IUPACN-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)ccc2F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H16F2N6O/c1-20-15-7-14(23-13-6-9(18)2-5-12(13)19)24-16-11(8-21-25(15)16)17(26)22-10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,22,26)(H,23,24)
InChIKeyUZYFPTQRGQTUDN-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.68
Rot. Bonds5

About N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139390508) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139390508
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC NameN-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)ccc2F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H16F2N6O/c1-20-15-7-14(23-13-6-9(18)2-5-12(13)19)24-16-11(8-21-25(15)16)17(26)22-10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,22,26)(H,23,24)
InChIKeyUZYFPTQRGQTUDN-UHFFFAOYSA-N
XLogP2.68
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139390508) is N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)ccc2F)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UZYFPTQRGQTUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c1-20-15-7-14(23-13-6-9(18)2-5-12(13)19)24-16-11(8-21-25(15)16)17(26)22-10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2,5-difluoroanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139390508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).