2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid

C26H24N6O5 — CID 10983911

IUPAC2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc3cnn(C(=O)NCC(=O)O)c3c2)cc1
InChIInChI=1S/C26H24N6O5/c1-16-4-2-3-5-21(16)31-25(36)30-19-9-6-17(7-10-19)12-23(33)29-20-11-8-18-14-28-32(22(18)13-20)26(37)27-15-24(34)35/h2-11,13-14H,12,15H2,1H3,(H,27,37)(H,29,33)(H,34,35)(H2,30,31,36)
InChIKeyUCZAVTBTOGJNBV-UHFFFAOYSA-N
MW500.52 g/mol
LogP3.81
Rot. Bonds7

About 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid

2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid (PubChem CID 10983911) has the molecular formula C26H24N6O5 and a molecular weight of 500.52 g/mol. Its IUPAC name is 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid
PubChem CID10983911
Molecular FormulaC26H24N6O5
Molecular Weight500.52 g/mol
Exact Mass500.18
IUPAC Name2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc3cnn(C(=O)NCC(=O)O)c3c2)cc1
InChIInChI=1S/C26H24N6O5/c1-16-4-2-3-5-21(16)31-25(36)30-19-9-6-17(7-10-19)12-23(33)29-20-11-8-18-14-28-32(22(18)13-20)26(37)27-15-24(34)35/h2-11,13-14H,12,15H2,1H3,(H,27,37)(H,29,33)(H,34,35)(H2,30,31,36)
InChIKeyUCZAVTBTOGJNBV-UHFFFAOYSA-N
XLogP3.81
TPSA154.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 53.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indazol-1-yl]acetic acid
CID 16732444
5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid
CID 16732592
2-[4-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indazol-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 16732593
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(1-methylindazol-6-yl)prop-2-ynamide
CID 166633397
Nalpha-({3-[1-(2-fluorophenyl)-
CID 138961762
2-[6-[[2-[5-Cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indol-1-yl]acetic acid
CID 44215717
methyl (2S)-2-(indazole-1-carbonylamino)propanoate
CID 95055726
(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide
CID 164633431
2-[4-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indazol-1-yl]acetic acid
CID 16732594
(6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50905286
2-[[3-(dimethylcarbamoylamino)phenyl]methylamino]-6-fluoro-N-(2-methylindazol-6-yl)benzamide
CID 58653203
(6S)-6-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794769

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid (CID 10983911) is 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid is Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc3cnn(C(=O)NCC(=O)O)c3c2)cc1.
What is the InChIKey of 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid?
The InChIKey is UCZAVTBTOGJNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O5/c1-16-4-2-3-5-21(16)31-25(36)30-19-9-6-17(7-10-19)12-23(33)29-20-11-8-18-14-28-32(22(18)13-20)26(37)27-15-24(34)35/h2-11,13-14H,12,15H2,1H3,(H,27,37)(H,29,33)(H,34,35)(H2,30,31,36).
What are the key properties of 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid?
2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid has a molecular weight of 500.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]indazole-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 10983911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).