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

C19H19N7O3 — CID 137441506

IUPAC5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CCC3O)cnn12
InChIInChI=1S/C19H19N7O3/c1-20-16-7-15(23-12-3-2-4-14-17(12)21-9-29-14)25-18-10(8-22-26(16)18)19(28)24-11-5-6-13(11)27/h2-4,7-9,11,13,20,27H,5-6H2,1H3,(H,23,25)(H,24,28)
InChIKeyXHXQUQZZVJOTHT-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.91
Rot. Bonds5

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

5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441506) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441506
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CCC3O)cnn12
InChIInChI=1S/C19H19N7O3/c1-20-16-7-15(23-12-3-2-4-14-17(12)21-9-29-14)25-18-10(8-22-26(16)18)19(28)24-11-5-6-13(11)27/h2-4,7-9,11,13,20,27H,5-6H2,1H3,(H,23,25)(H,24,28)
InChIKeyXHXQUQZZVJOTHT-UHFFFAOYSA-N
XLogP1.91
TPSA129.61 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449157
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441543
5-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524002
5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139390479
N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449975
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449191
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450055
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-2,3-dihydro-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383340
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441489
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559146
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383343
N-[(2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450029

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441506) is 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)NC3CCC3O)cnn12.
What is the InChIKey of 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XHXQUQZZVJOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-20-16-7-15(23-12-3-2-4-14-17(12)21-9-29-14)25-18-10(8-22-26(16)18)19(28)24-11-5-6-13(11)27/h2-4,7-9,11,13,20,27H,5-6H2,1H3,(H,23,25)(H,24,28).
What are the key properties of 5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 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-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).