N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C23H23BrN6O4 — CID 153456638

IUPACN-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(Br)nc1NC(=O)C1CC2(C)CC2N1C(=O)Cn1nc(C(N)=O)cc1-c1ccco1
InChIInChI=1S/C23H23BrN6O4/c1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(16-4-3-7-34-16)8-13(28-29)20(25)32/h3-8,15,17H,9-11H2,1-2H3,(H2,25,32)(H,26,27,33)
InChIKeyURFLAWAVLAZXIU-UHFFFAOYSA-N
MW527.38 g/mol
LogP2.73
Rot. Bonds6

About N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 153456638) has the molecular formula C23H23BrN6O4 and a molecular weight of 527.38 g/mol. Its IUPAC name is N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID153456638
Molecular FormulaC23H23BrN6O4
Molecular Weight527.38 g/mol
Exact Mass526.10
IUPAC NameN-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(Br)nc1NC(=O)C1CC2(C)CC2N1C(=O)Cn1nc(C(N)=O)cc1-c1ccco1
InChIInChI=1S/C23H23BrN6O4/c1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(16-4-3-7-34-16)8-13(28-29)20(25)32/h3-8,15,17H,9-11H2,1-2H3,(H2,25,32)(H,26,27,33)
InChIKeyURFLAWAVLAZXIU-UHFFFAOYSA-N
XLogP2.73
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

US11407738, Example 00424
CID 126623957
US11084800, Cpd No. 212
CID 135317481
US11447465, Cmp No. T-93
CID 142420804
US11084800, Cpd No. 213
CID 135318750
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 47035426
(2Z,3Z)-N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-(1-fluoroethylidene)hexa-3,5-dienamide
CID 144274904
US11053253, Cmp No. T-15
CID 153306605
US11053253, Cmp No. T-14
CID 153306769
(4-Benzylpiperazin-4-ium-1-yl)-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4228895
N-{1-[3-(furan-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl}-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 154831419
2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 59022906
ethyl 3-acetyl-1-[2-[(1R,3S,5R)-3-[[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]carbamoyl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazole-5-carboxylate
CID 135318529

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 153456638) is N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is Cc1ccc(Br)nc1NC(=O)C1CC2(C)CC2N1C(=O)Cn1nc(C(N)=O)cc1-c1ccco1.
What is the InChIKey of N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is URFLAWAVLAZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6O4/c1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(16-4-3-7-34-16)8-13(28-29)20(25)32/h3-8,15,17H,9-11H2,1-2H3,(H2,25,32)(H,26,27,33).
What are the key properties of N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 527.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 153456638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).