N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide

C18H15BrCl2N6O — CID 173324683

IUPACN'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide
SMILESC=C(/C=C(\N=CN)Nc1ncc(Br)c2nn(-c3c(Cl)cccc3Cl)cc12)CO
InChIInChI=1S/C18H15BrCl2N6O/c1-10(8-28)5-15(24-9-22)25-18-11-7-27(26-16(11)12(19)6-23-18)17-13(20)3-2-4-14(17)21/h2-7,9,28H,1,8H2,(H2,22,24)(H,23,25)/b15-5+
InChIKeyIESCCBDNCURYHG-PJQLUOCWSA-N
MW482.17 g/mol
LogP4.28
Rot. Bonds6

About N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide

N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide (PubChem CID 173324683) has the molecular formula C18H15BrCl2N6O and a molecular weight of 482.17 g/mol. Its IUPAC name is N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide
PubChem CID173324683
Molecular FormulaC18H15BrCl2N6O
Molecular Weight482.17 g/mol
Exact Mass479.99
IUPAC NameN'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide
SMILESC=C(/C=C(\N=CN)Nc1ncc(Br)c2nn(-c3c(Cl)cccc3Cl)cc12)CO
InChIInChI=1S/C18H15BrCl2N6O/c1-10(8-28)5-15(24-9-22)25-18-11-7-27(26-16(11)12(19)6-23-18)17-13(20)3-2-4-14(17)21/h2-7,9,28H,1,8H2,(H2,22,24)(H,23,25)/b15-5+
InChIKeyIESCCBDNCURYHG-PJQLUOCWSA-N
XLogP4.28
TPSA101.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.17
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-methylbuta-1,3-dienyl]methanimidamide
CID 173324542
N'-[(1Z)-1-[[7-bromo-2-(2,6-dichloro-4-cyanophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-methylbuta-1,3-dienyl]methanimidamide
CID 173324652
N'-[(1Z)-1-[[2-(2-chloro-6-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]ethanimidamide
CID 173324757
N'-[(Z)-1-[[2-(2-chloro-6-cyanophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]amino]-4-hydroxy-3-methylidenepent-1-enyl]methanimidamide
CID 173324713
N'-[(1Z)-3-amino-1-[[2-(2,6-dichloro-4-cyanophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]amino]buta-1,3-dienyl]methanimidamide
CID 173324513
4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine
CID 86697074
4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 67700761
[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid
CID 118481203
4-bromo-2-(2-chloro-6-fluorophenyl)pyrazolo[4,3-c]pyridine
CID 86697044
2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol
CID 145499680
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440046

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide (CID 173324683) is N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide is C=C(/C=C(\N=CN)Nc1ncc(Br)c2nn(-c3c(Cl)cccc3Cl)cc12)CO.
What is the InChIKey of N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide?
The InChIKey is IESCCBDNCURYHG-PJQLUOCWSA-N. The full InChI is InChI=1S/C18H15BrCl2N6O/c1-10(8-28)5-15(24-9-22)25-18-11-7-27(26-16(11)12(19)6-23-18)17-13(20)3-2-4-14(17)21/h2-7,9,28H,1,8H2,(H2,22,24)(H,23,25)/b15-5+.
What are the key properties of N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide?
N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide has a molecular weight of 482.17 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-(hydroxymethyl)buta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 173324683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).