methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane

C23H31N7O4 — CID 142523738

IUPACmethoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
SMILESC1OCC2CC12.CNc1cc(Nc2ccc[nH]c2=O)nc2c(C(N)=O)cnn12.COC1CCC1
InChIInChI=1S/C13H13N7O2.C5H8O.C5H10O/c1-15-10-5-9(18-8-3-2-4-16-13(8)22)19-12-7(11(14)21)6-17-20(10)12;1-4-2-6-3-5(1)4;1-6-5-3-2-4-5/h2-6,15H,1H3,(H2,14,21)(H,16,22)(H,18,19);4-5H,1-3H2;5H,2-4H2,1H3
InChIKeyKOZPAYUXPYUFJW-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.14
Rot. Bonds5

About methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane

methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane (PubChem CID 142523738) has the molecular formula C23H31N7O4 and a molecular weight of 469.55 g/mol. Its IUPAC name is methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Namemethoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
PubChem CID142523738
Molecular FormulaC23H31N7O4
Molecular Weight469.55 g/mol
Exact Mass469.24
IUPAC Namemethoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
SMILESC1OCC2CC12.CNc1cc(Nc2ccc[nH]c2=O)nc2c(C(N)=O)cnn12.COC1CCC1
InChIInChI=1S/C13H13N7O2.C5H8O.C5H10O/c1-15-10-5-9(18-8-3-2-4-16-13(8)22)19-12-7(11(14)21)6-17-20(10)12;1-4-2-6-3-5(1)4;1-6-5-3-2-4-5/h2-6,15H,1H3,(H2,14,21)(H,16,22)(H,18,19);4-5H,1-3H2;5H,2-4H2,1H3
InChIKeyKOZPAYUXPYUFJW-UHFFFAOYSA-N
XLogP2.14
TPSA148.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?
The IUPAC name of methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane (CID 142523738) is methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane is C1OCC2CC12.CNc1cc(Nc2ccc[nH]c2=O)nc2c(C(N)=O)cnn12.COC1CCC1.
What is the InChIKey of methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?
The InChIKey is KOZPAYUXPYUFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2.C5H8O.C5H10O/c1-15-10-5-9(18-8-3-2-4-16-13(8)22)19-12-7(11(14)21)6-17-20(10)12;1-4-2-6-3-5(1)4;1-6-5-3-2-4-5/h2-6,15H,1H3,(H2,14,21)(H,16,22)(H,18,19);4-5H,1-3H2;5H,2-4H2,1H3.
What are the key properties of methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?
methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane has a molecular weight of 469.55 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 142523738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).