N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide

C36H35N7O5 — CID 135345350

IUPACN-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(Cn2c(=O)oc3cc(-c4cc5cc(NC(=O)C6CC6c6cnn(C7CCCCO7)c6)ncc5c(N)n4)c(C)cc32)cc1
InChIInChI=1S/C36H35N7O5/c1-20-11-30-31(48-36(45)42(30)18-21-6-8-24(46-2)9-7-21)15-25(20)29-12-22-13-32(38-17-28(22)34(37)40-29)41-35(44)27-14-26(27)23-16-39-43(19-23)33-5-3-4-10-47-33/h6-9,11-13,15-17,19,26-27,33H,3-5,10,14,18H2,1-2H3,(H2,37,40)(H,38,41,44)
InChIKeyUMPLRBLSROURAH-UHFFFAOYSA-N
MW645.72 g/mol
LogP5.79
Rot. Bonds8

About N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide

N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 135345350) has the molecular formula C36H35N7O5 and a molecular weight of 645.72 g/mol. Its IUPAC name is N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID135345350
Molecular FormulaC36H35N7O5
Molecular Weight645.72 g/mol
Exact Mass645.27
IUPAC NameN-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(Cn2c(=O)oc3cc(-c4cc5cc(NC(=O)C6CC6c6cnn(C7CCCCO7)c6)ncc5c(N)n4)c(C)cc32)cc1
InChIInChI=1S/C36H35N7O5/c1-20-11-30-31(48-36(45)42(30)18-21-6-8-24(46-2)9-7-21)15-25(20)29-12-22-13-32(38-17-28(22)34(37)40-29)41-35(44)27-14-26(27)23-16-39-43(19-23)33-5-3-4-10-47-33/h6-9,11-13,15-17,19,26-27,33H,3-5,10,14,18H2,1-2H3,(H2,37,40)(H,38,41,44)
InChIKeyUMPLRBLSROURAH-UHFFFAOYSA-N
XLogP5.79
TPSA152.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500645.72
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide (CID 135345350) is N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide is COc1ccc(Cn2c(=O)oc3cc(-c4cc5cc(NC(=O)C6CC6c6cnn(C7CCCCO7)c6)ncc5c(N)n4)c(C)cc32)cc1.
What is the InChIKey of N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is UMPLRBLSROURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N7O5/c1-20-11-30-31(48-36(45)42(30)18-21-6-8-24(46-2)9-7-21)15-25(20)29-12-22-13-32(38-17-28(22)34(37)40-29)41-35(44)27-14-26(27)23-16-39-43(19-23)33-5-3-4-10-47-33/h6-9,11-13,15-17,19,26-27,33H,3-5,10,14,18H2,1-2H3,(H2,37,40)(H,38,41,44).
What are the key properties of N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 645.72 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-[3-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-1,3-benzoxazol-6-yl]-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135345350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).