1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile

C27H25N5O2 — CID 138538927

IUPAC1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile
SMILESC=CC(O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(C#N)c32)C1
InChIInChI=1S/C27H25N5O2/c1-2-25(33)31-14-6-7-21(18-31)32-27-20(15-28)16-29-17-24(27)26(30-32)19-10-12-23(13-11-19)34-22-8-4-3-5-9-22/h2-5,8-13,16-17,21,25,33H,1,6-7,14,18H2
InChIKeyCHCXURVMGMTKHM-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.90
Rot. Bonds6

About 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile

1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile (PubChem CID 138538927) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile
PubChem CID138538927
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile
SMILESC=CC(O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(C#N)c32)C1
InChIInChI=1S/C27H25N5O2/c1-2-25(33)31-14-6-7-21(18-31)32-27-20(15-28)16-29-17-24(27)26(30-32)19-10-12-23(13-11-19)34-22-8-4-3-5-9-22/h2-5,8-13,16-17,21,25,33H,1,6-7,14,18H2
InChIKeyCHCXURVMGMTKHM-UHFFFAOYSA-N
XLogP4.90
TPSA87.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 130409150
3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 130409151
4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521449
tert-butyl 3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 175297581
3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine
CID 130427009
4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
CID 134521496
5-phenoxy-2-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]benzonitrile
CID 130409122
5-amino-1-(1-methylpiperidin-3-yl)-3-(4-phenoxyphenyl)pyrazole-4-carbonitrile;prop-2-enal
CID 144847053
ethane;1-[3-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 158391372
1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247993
1-[3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-hydroxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247909
4-[7-cyano-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134521305

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
The IUPAC name of 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile (CID 138538927) is 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile.
What is the SMILES notation for 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
The canonical SMILES for 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile is C=CC(O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(C#N)c32)C1.
What is the InChIKey of 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
The InChIKey is CHCXURVMGMTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-2-25(33)31-14-6-7-21(18-31)32-27-20(15-28)16-29-17-24(27)26(30-32)19-10-12-23(13-11-19)34-22-8-4-3-5-9-22/h2-5,8-13,16-17,21,25,33H,1,6-7,14,18H2.
What are the key properties of 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile?
1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile has a molecular weight of 451.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxyprop-2-enyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridine-7-carbonitrile is sourced from PubChem (CID 138538927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).