(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C34H32N8O4 — CID 135319044

IUPAC(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cccn(-c4ccccn4)c3=O)C[C@@]3(C)C[C@@H]23)c2c(C)cc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C34H32N8O4/c1-19-12-22(23-16-36-21(3)37-17-23)13-24-30(20(2)43)39-41(31(19)24)18-29(44)42-26(14-34(4)15-27(34)42)32(45)38-25-8-7-11-40(33(25)46)28-9-5-6-10-35-28/h5-13,16-17,26-27H,14-15,18H2,1-4H3,(H,38,45)/t26-,27+,34-/m0/s1
InChIKeyAHNAZWZMTFFYMB-MZXMJASYSA-N
MW616.68 g/mol
LogP3.88
Rot. Bonds7

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

(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 135319044) has the molecular formula C34H32N8O4 and a molecular weight of 616.68 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-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)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID135319044
Molecular FormulaC34H32N8O4
Molecular Weight616.68 g/mol
Exact Mass616.25
IUPAC Name(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cccn(-c4ccccn4)c3=O)C[C@@]3(C)C[C@@H]23)c2c(C)cc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C34H32N8O4/c1-19-12-22(23-16-36-21(3)37-17-23)13-24-30(20(2)43)39-41(31(19)24)18-29(44)42-26(14-34(4)15-27(34)42)32(45)38-25-8-7-11-40(33(25)46)28-9-5-6-10-35-28/h5-13,16-17,26-27H,14-15,18H2,1-4H3,(H,38,45)/t26-,27+,34-/m0/s1
InChIKeyAHNAZWZMTFFYMB-MZXMJASYSA-N
XLogP3.88
TPSA144.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-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)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 135319044) is (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-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)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-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)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cccn(-c4ccccn4)c3=O)C[C@@]3(C)C[C@@H]23)c2c(C)cc(-c3cnc(C)nc3)cc12.
What is the InChIKey of (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is AHNAZWZMTFFYMB-MZXMJASYSA-N. The full InChI is InChI=1S/C34H32N8O4/c1-19-12-22(23-16-36-21(3)37-17-23)13-24-30(20(2)43)39-41(31(19)24)18-29(44)42-26(14-34(4)15-27(34)42)32(45)38-25-8-7-11-40(33(25)46)28-9-5-6-10-35-28/h5-13,16-17,26-27H,14-15,18H2,1-4H3,(H,38,45)/t26-,27+,34-/m0/s1.
What are the key properties of (1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 616.68 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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)indazol-1-yl]acetyl]-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 135319044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).