[6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol

C18H20ClN5O2 — CID 144599089

IUPAC[6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol
SMILESC=C(NCc1ccc(Cl)c(C)c1)Nc1cc2[nH]nc(OC)c2c(CO)n1
InChIInChI=1S/C18H20ClN5O2/c1-10-6-12(4-5-13(10)19)8-20-11(2)21-16-7-14-17(15(9-25)22-16)18(26-3)24-23-14/h4-7,20,25H,2,8-9H2,1,3H3,(H,21,22)(H,23,24)
InChIKeyHVHQYVNGAIGXDJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.09
Rot. Bonds7

About [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol

[6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol (PubChem CID 144599089) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol
PubChem CID144599089
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name[6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol
SMILESC=C(NCc1ccc(Cl)c(C)c1)Nc1cc2[nH]nc(OC)c2c(CO)n1
InChIInChI=1S/C18H20ClN5O2/c1-10-6-12(4-5-13(10)19)8-20-11(2)21-16-7-14-17(15(9-25)22-16)18(26-3)24-23-14/h4-7,20,25H,2,8-9H2,1,3H3,(H,21,22)(H,23,24)
InChIKeyHVHQYVNGAIGXDJ-UHFFFAOYSA-N
XLogP3.09
TPSA95.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(3,4-difluorophenyl)-2-hydroxy-2-methylpropyl]-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118365338
1-[3-methoxy-4-(methylaminomethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118365096
2-chloro-N-[(4-chloro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 103991295
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
CID 131998616
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
CID 144599326
N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 167941876
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
1-[(4-chloro-3-methylphenyl)methylamino]-1-(ethylamino)ethanol;ethane;N,N,6-trimethylpyridin-2-amine
CID 143997705
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
N-[(4-chloro-3-methylphenyl)methyl]-3-methoxypropan-1-amine
CID 103990923

Frequently Asked Questions

What is the IUPAC name of [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol?
The IUPAC name of [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol (CID 144599089) is [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol.
What is the SMILES notation for [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol?
The canonical SMILES for [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol is C=C(NCc1ccc(Cl)c(C)c1)Nc1cc2[nH]nc(OC)c2c(CO)n1.
What is the InChIKey of [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol?
The InChIKey is HVHQYVNGAIGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-10-6-12(4-5-13(10)19)8-20-11(2)21-16-7-14-17(15(9-25)22-16)18(26-3)24-23-14/h4-7,20,25H,2,8-9H2,1,3H3,(H,21,22)(H,23,24).
What are the key properties of [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol?
[6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol has a molecular weight of 373.84 g/mol, XLogP of 3.09, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol is sourced from PubChem (CID 144599089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).