5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21N7O3 — CID 137441593

IUPAC5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CCC3OC)cnn12
InChIInChI=1S/C20H21N7O3/c1-21-17-8-16(24-13-4-3-5-15-18(13)22-10-30-15)26-19-11(9-23-27(17)19)20(28)25-12-6-7-14(12)29-2/h3-5,8-10,12,14,21H,6-7H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyNIAOXUYLTMEXKR-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.56
Rot. Bonds6

About 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441593) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441593
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CCC3OC)cnn12
InChIInChI=1S/C20H21N7O3/c1-21-17-8-16(24-13-4-3-5-15-18(13)22-10-30-15)26-19-11(9-23-27(17)19)20(28)25-12-6-7-14(12)29-2/h3-5,8-10,12,14,21H,6-7H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyNIAOXUYLTMEXKR-UHFFFAOYSA-N
XLogP2.56
TPSA118.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441593) is 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CCC3OC)cnn12.
What is the InChIKey of 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NIAOXUYLTMEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-21-17-8-16(24-13-4-3-5-15-18(13)22-10-30-15)26-19-11(9-23-27(17)19)20(28)25-12-6-7-14(12)29-2/h3-5,8-10,12,14,21H,6-7H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-4-ylamino)-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).