2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile

C22H17N5O2 — CID 56879979

IUPAC2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-n2cc(-c3cc(-c4cccc(O)c4)c(C#N)c(N)n3)cn2)cc1
InChIInChI=1S/C22H17N5O2/c1-29-18-7-5-16(6-8-18)27-13-15(12-25-27)21-10-19(20(11-23)22(24)26-21)14-3-2-4-17(28)9-14/h2-10,12-13,28H,1H3,(H2,24,26)
InChIKeyBOULNOKFCHYRIA-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.77
Rot. Bonds4

About 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile

2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 56879979) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID56879979
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-n2cc(-c3cc(-c4cccc(O)c4)c(C#N)c(N)n3)cn2)cc1
InChIInChI=1S/C22H17N5O2/c1-29-18-7-5-16(6-8-18)27-13-15(12-25-27)21-10-19(20(11-23)22(24)26-21)14-3-2-4-17(28)9-14/h2-10,12-13,28H,1H3,(H2,24,26)
InChIKeyBOULNOKFCHYRIA-UHFFFAOYSA-N
XLogP3.77
TPSA109.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-4-(1-ethylpyrazol-4-yl)-6-[1-(4-fluorophenyl)pyrazol-4-yl]pyridine-3-carbonitrile
CID 56869931
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile
CID 56876036
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-4-(furan-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 10469515

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile (CID 56879979) is 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile is COc1ccc(-n2cc(-c3cc(-c4cccc(O)c4)c(C#N)c(N)n3)cn2)cc1.
What is the InChIKey of 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is BOULNOKFCHYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-29-18-7-5-16(6-8-18)27-13-15(12-25-27)21-10-19(20(11-23)22(24)26-21)14-3-2-4-17(28)9-14/h2-10,12-13,28H,1H3,(H2,24,26).
What are the key properties of 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile?
2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56879979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).