(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C32H34N6O4 — CID 150203156

IUPAC(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2C[C@@]3(C)C[C@H]3N2C(=O)Cc2c(-c3cnc(C)nc3)cc(C)c3n[nH]c(C(C)=O)c23)cc1
InChIInChI=1S/C32H34N6O4/c1-17-10-23(21-15-33-19(3)34-16-21)24(28-29(17)36-37-30(28)18(2)39)11-27(40)38-25(12-32(4)13-26(32)38)31(41)35-14-20-6-8-22(42-5)9-7-20/h6-10,15-16,25-26H,11-14H2,1-5H3,(H,35,41)(H,36,37)/t25-,26+,32-/m0/s1
InChIKeyFPXMMWWCYQWRKY-BKQYKDOASA-N
MW566.66 g/mol
LogP4.09
Rot. Bonds8

About (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 150203156) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID150203156
Molecular FormulaC32H34N6O4
Molecular Weight566.66 g/mol
Exact Mass566.26
IUPAC Name(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2C[C@@]3(C)C[C@H]3N2C(=O)Cc2c(-c3cnc(C)nc3)cc(C)c3n[nH]c(C(C)=O)c23)cc1
InChIInChI=1S/C32H34N6O4/c1-17-10-23(21-15-33-19(3)34-16-21)24(28-29(17)36-37-30(28)18(2)39)11-27(40)38-25(12-32(4)13-26(32)38)31(41)35-14-20-6-8-22(42-5)9-7-20/h6-10,15-16,25-26H,11-14H2,1-5H3,(H,35,41)(H,36,37)/t25-,26+,32-/m0/s1
InChIKeyFPXMMWWCYQWRKY-BKQYKDOASA-N
XLogP4.09
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

CID 118322984
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CID 126623256
CID 126623256
CID 126642821
CID 126642821
CID 126642866
CID 126642866
CID 126643026
CID 126643026
CID 126643384
CID 126643384
CID 126643627
CID 126643627
CID 135317885
CID 135317885
CID 135318820
CID 135318820
CID 142420439
CID 142420439
CID 153306534
CID 153306534

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 150203156) is (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is COc1ccc(CNC(=O)[C@@H]2C[C@@]3(C)C[C@H]3N2C(=O)Cc2c(-c3cnc(C)nc3)cc(C)c3n[nH]c(C(C)=O)c23)cc1.
What is the InChIKey of (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is FPXMMWWCYQWRKY-BKQYKDOASA-N. The full InChI is InChI=1S/C32H34N6O4/c1-17-10-23(21-15-33-19(3)34-16-21)24(28-29(17)36-37-30(28)18(2)39)11-27(40)38-25(12-32(4)13-26(32)38)31(41)35-14-20-6-8-22(42-5)9-7-20/h6-10,15-16,25-26H,11-14H2,1-5H3,(H,35,41)(H,36,37)/t25-,26+,32-/m0/s1.
What are the key properties of (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-2H-indazol-4-yl]acetyl]-N-[(4-methoxyphenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 150203156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).