3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine

C25H21N7 — CID 145253765

IUPAC3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine
SMILESCC=C/C=C(/c1cccnc1)c1cc(-c2n[nH]c3ccc(-c4cncnc4)cc23)[nH]c1N
InChIInChI=1S/C25H21N7/c1-2-3-6-19(17-5-4-9-27-12-17)20-11-23(30-25(20)26)24-21-10-16(7-8-22(21)31-32-24)18-13-28-15-29-14-18/h2-15,30H,26H2,1H3,(H,31,32)/b3-2?,19-6-
InChIKeyNYVVZBAHZPTYAQ-WPKGWARDSA-N
MW419.49 g/mol
LogP5.00
Rot. Bonds5

About 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine

3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine (PubChem CID 145253765) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine
PubChem CID145253765
Molecular FormulaC25H21N7
Molecular Weight419.49 g/mol
Exact Mass419.19
IUPAC Name3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine
SMILESCC=C/C=C(/c1cccnc1)c1cc(-c2n[nH]c3ccc(-c4cncnc4)cc23)[nH]c1N
InChIInChI=1S/C25H21N7/c1-2-3-6-19(17-5-4-9-27-12-17)20-11-23(30-25(20)26)24-21-10-16(7-8-22(21)31-32-24)18-13-28-15-29-14-18/h2-15,30H,26H2,1H3,(H,31,32)/b3-2?,19-6-
InChIKeyNYVVZBAHZPTYAQ-WPKGWARDSA-N
XLogP5.00
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[5-amino-4-[(1E)-1-(furan-3-yl)penta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 145253991
3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137087155
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137116967
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137087926
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137283033
(3E,5E)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylhepta-1,3,5-trien-3-amine
CID 145254113
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252791
3-[4-[(1Z)-1-(3-fluoro-5-methylphenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145253693
3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 145246762

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine?
The IUPAC name of 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine (CID 145253765) is 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine?
The canonical SMILES for 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine is CC=C/C=C(/c1cccnc1)c1cc(-c2n[nH]c3ccc(-c4cncnc4)cc23)[nH]c1N.
What is the InChIKey of 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine?
The InChIKey is NYVVZBAHZPTYAQ-WPKGWARDSA-N. The full InChI is InChI=1S/C25H21N7/c1-2-3-6-19(17-5-4-9-27-12-17)20-11-23(30-25(20)26)24-21-10-16(7-8-22(21)31-32-24)18-13-28-15-29-14-18/h2-15,30H,26H2,1H3,(H,31,32)/b3-2?,19-6-.
What are the key properties of 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine?
3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine has a molecular weight of 419.49 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 145253765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).