methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24N8O4 — CID 142524067

IUPACmethoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(N)=O)cnn12.COC1CCC1
InChIInChI=1S/C16H14N8O3.C5H10O/c1-18-12-7-11(22-14-9(13(17)25)8-20-24(12)14)21-10-3-2-5-23(15(10)26)16-19-4-6-27-16;1-6-5-3-2-4-5/h2-8,18H,1H3,(H2,17,25)(H,21,22);5H,2-4H2,1H3
InChIKeyWRPYVFKDZGAZFY-UHFFFAOYSA-N
MW452.48 g/mol
LogP1.94
Rot. Bonds6

About methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142524067) has the molecular formula C21H24N8O4 and a molecular weight of 452.48 g/mol. Its IUPAC name is methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Namemethoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142524067
Molecular FormulaC21H24N8O4
Molecular Weight452.48 g/mol
Exact Mass452.19
IUPAC Namemethoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(N)=O)cnn12.COC1CCC1
InChIInChI=1S/C16H14N8O3.C5H10O/c1-18-12-7-11(22-14-9(13(17)25)8-20-24(12)14)21-10-3-2-5-23(15(10)26)16-19-4-6-27-16;1-6-5-3-2-4-5/h2-8,18H,1H3,(H2,17,25)(H,21,22);5H,2-4H2,1H3
InChIKeyWRPYVFKDZGAZFY-UHFFFAOYSA-N
XLogP1.94
TPSA154.60 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142524067) is methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(N)=O)cnn12.COC1CCC1.
What is the InChIKey of methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WRPYVFKDZGAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O3.C5H10O/c1-18-12-7-11(22-14-9(13(17)25)8-20-24(12)14)21-10-3-2-5-23(15(10)26)16-19-4-6-27-16;1-6-5-3-2-4-5/h2-8,18H,1H3,(H2,17,25)(H,21,22);5H,2-4H2,1H3.
What are the key properties of methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142524067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).