(1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide

C20H20N6O — CID 145492483

IUPAC(1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide
SMILESCN(C)C(=O)C1=C/C(c2cnc3n[nH]c(-c4ccn[nH]4)c3c2)=C\CC/C=C\1
InChIInChI=1S/C20H20N6O/c1-26(2)20(27)14-7-5-3-4-6-13(10-14)15-11-16-18(17-8-9-22-23-17)24-25-19(16)21-12-15/h5-12H,3-4H2,1-2H3,(H,22,23)(H,21,24,25)/b7-5-,13-6+,14-10+
InChIKeyDQZWKZYEZNMUDB-CHHQZDRCSA-N
MW360.42 g/mol
LogP3.10
Rot. Bonds3

About (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide

(1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide (PubChem CID 145492483) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide.

Molecular Properties

Compound Name(1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide
PubChem CID145492483
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide
SMILESCN(C)C(=O)C1=C/C(c2cnc3n[nH]c(-c4ccn[nH]4)c3c2)=C\CC/C=C\1
InChIInChI=1S/C20H20N6O/c1-26(2)20(27)14-7-5-3-4-6-13(10-14)15-11-16-18(17-8-9-22-23-17)24-25-19(16)21-12-15/h5-12H,3-4H2,1-2H3,(H,22,23)(H,21,24,25)/b7-5-,13-6+,14-10+
InChIKeyDQZWKZYEZNMUDB-CHHQZDRCSA-N
XLogP3.10
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide with MolForge

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Related Compounds

3-[3-(cyclohexen-1-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 25144650
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016
3-[3-(4-amino-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 25145199
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137145270
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041218
3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137257269
3-(7-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038556
4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 68662294
5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145247306
3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 145245660
3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137041175
3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164619573

Frequently Asked Questions

What is the IUPAC name of (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide?
The IUPAC name of (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide (CID 145492483) is (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide.
What is the SMILES notation for (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide?
The canonical SMILES for (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide is CN(C)C(=O)C1=C/C(c2cnc3n[nH]c(-c4ccn[nH]4)c3c2)=C\CC/C=C\1.
What is the InChIKey of (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide?
The InChIKey is DQZWKZYEZNMUDB-CHHQZDRCSA-N. The full InChI is InChI=1S/C20H20N6O/c1-26(2)20(27)14-7-5-3-4-6-13(10-14)15-11-16-18(17-8-9-22-23-17)24-25-19(16)21-12-15/h5-12H,3-4H2,1-2H3,(H,22,23)(H,21,24,25)/b7-5-,13-6+,14-10+.
What are the key properties of (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide?
(1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,7Z)-N,N-dimethyl-3-[3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]cycloocta-1,3,7-triene-1-carboxamide is sourced from PubChem (CID 145492483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).