5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17N7O2 — CID 137449187

IUPAC5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C18H17N7O2/c1-19-15-7-14(23-12-3-2-4-13-16(12)20-9-27-13)24-17-11(8-21-25(15)17)18(26)22-10-5-6-10/h2-4,7-10,19H,5-6H2,1H3,(H,22,26)(H,23,24)
InChIKeyFEXUAZYVKUAOPT-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.55
Rot. Bonds5

About 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449187) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449187
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C18H17N7O2/c1-19-15-7-14(23-12-3-2-4-13-16(12)20-9-27-13)24-17-11(8-21-25(15)17)18(26)22-10-5-6-10/h2-4,7-10,19H,5-6H2,1H3,(H,22,26)(H,23,24)
InChIKeyFEXUAZYVKUAOPT-UHFFFAOYSA-N
XLogP2.55
TPSA109.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449187) is 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FEXUAZYVKUAOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-19-15-7-14(23-12-3-2-4-13-16(12)20-9-27-13)24-17-11(8-21-25(15)17)18(26)22-10-5-6-10/h2-4,7-10,19H,5-6H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-4-ylamino)-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).