5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

C28H27ClN8O3 — CID 126623805

IUPAC5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCc1cccc(NC(=O)C2[C@@H]3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(Nc4ccc(Cl)nn4)ccc32)n1
InChIInChI=1S/C28H27ClN8O3/c1-15-3-2-4-23(31-15)33-28(40)26-16-5-7-18(11-16)37(26)25(38)14-36-13-20(27(30)39)19-12-17(6-8-21(19)36)32-24-10-9-22(29)34-35-24/h2-4,6,8-10,12-13,16,18,26H,5,7,11,14H2,1H3,(H2,30,39)(H,32,35)(H,31,33,40)/t16-,18?,26?/m1/s1
InChIKeyXQMAPWRUEWYQRY-GIJGRZNKSA-N
MW559.03 g/mol
LogP3.65
Rot. Bonds7

About 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (PubChem CID 126623805) has the molecular formula C28H27ClN8O3 and a molecular weight of 559.03 g/mol. Its IUPAC name is 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
PubChem CID126623805
Molecular FormulaC28H27ClN8O3
Molecular Weight559.03 g/mol
Exact Mass558.19
IUPAC Name5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCc1cccc(NC(=O)C2[C@@H]3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(Nc4ccc(Cl)nn4)ccc32)n1
InChIInChI=1S/C28H27ClN8O3/c1-15-3-2-4-23(31-15)33-28(40)26-16-5-7-18(11-16)37(26)25(38)14-36-13-20(27(30)39)19-12-17(6-8-21(19)36)32-24-10-9-22(29)34-35-24/h2-4,6,8-10,12-13,16,18,26H,5,7,11,14H2,1H3,(H2,30,39)(H,32,35)(H,31,33,40)/t16-,18?,26?/m1/s1
InChIKeyXQMAPWRUEWYQRY-GIJGRZNKSA-N
XLogP3.65
TPSA148.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.03
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide with MolForge

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Related Compounds

[3-carbamoyl-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indol-5-yl]phosphonic acid
CID 126628912
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide
CID 126653891
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide
CID 126653866
1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide
CID 126643289
2-cyclopropylsulfonyl-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3,5-dicarboxamide
CID 126617608
5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 142496256
5-[(2-chlorobenzoyl)amino]-1-[2-[(1R,3S,4S)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 142495954
5-chloro-1-[2-[(1S,4R)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217367
methyl 3-carbamoyl-1-[2-[(1R,3S,4S)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-5-carboxylate
CID 129229646
bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[3-carbamoyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indol-1-yl]acetic acid;methane;(3S)-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;1-(2-oxopropyl)-5-(1H-thieno[3,2-c]pyrazol-3-yl)indole-3-carboxamide;hydrochloride
CID 158523988
methyl N-[3-carbamoyl-1-[2-[(1S,5R,7S)-7-[(6-chloro-2-pyridinyl)carbamoyl]-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]indazol-5-yl]carbamate
CID 142495939
(1R,4S)-2-[2-[3-acetyl-5-[(2-methoxypyridine-3-carbonyl)amino]indazol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 142495916

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (CID 126623805) is 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is Cc1cccc(NC(=O)C2[C@@H]3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(Nc4ccc(Cl)nn4)ccc32)n1.
What is the InChIKey of 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The InChIKey is XQMAPWRUEWYQRY-GIJGRZNKSA-N. The full InChI is InChI=1S/C28H27ClN8O3/c1-15-3-2-4-23(31-15)33-28(40)26-16-5-7-18(11-16)37(26)25(38)14-36-13-20(27(30)39)19-12-17(6-8-21(19)36)32-24-10-9-22(29)34-35-24/h2-4,6,8-10,12-13,16,18,26H,5,7,11,14H2,1H3,(H2,30,39)(H,32,35)(H,31,33,40)/t16-,18?,26?/m1/s1.
What are the key properties of 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide has a molecular weight of 559.03 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 126623805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).