1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine

C25H27N7 — CID 145246163

IUPAC1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine
SMILESC=C/C(=C\C(=C/C)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1)NC(=C)CN(C)C
InChIInChI=1S/C25H27N7/c1-6-17(10-19(7-2)28-16(3)15-32(4)5)21-12-20-24(14-27-21)30-31-25(20)22-11-18-8-9-26-13-23(18)29-22/h6-14,28-29H,2-3,15H2,1,4-5H3,(H,30,31)/b17-6+,19-10+
InChIKeyLVEOVLQFRRKPQH-ZOBJZHJUSA-N
MW425.54 g/mol
LogP4.64
Rot. Bonds8

About 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine

1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine (PubChem CID 145246163) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine
PubChem CID145246163
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC Name1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine
SMILESC=C/C(=C\C(=C/C)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1)NC(=C)CN(C)C
InChIInChI=1S/C25H27N7/c1-6-17(10-19(7-2)28-16(3)15-32(4)5)21-12-20-24(14-27-21)30-31-25(20)22-11-18-8-9-26-13-23(18)29-22/h6-14,28-29H,2-3,15H2,1,4-5H3,(H,30,31)/b17-6+,19-10+
InChIKeyLVEOVLQFRRKPQH-ZOBJZHJUSA-N
XLogP4.64
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine with MolForge

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Related Compounds

2-N-[(3E,5E)-5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
CID 145245862
(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145252773
(3E,5E)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 145246109
(2E,4E)-2-ethenyl-4-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylhexa-2,4-dien-1-amine
CID 145246281
(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145247776
(3E,5E)-N-(3-methylpent-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145246111
N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
CID 137281325
(3E,5E)-N-but-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145252481
N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine
CID 137033432
(3E,5E)-N-(4,4-dimethylpent-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145252595
(3E,5E)-5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine
CID 145035518
N-[3-fluoro-5-[(1Z)-1-[2-methyl-5-[5-[(2E,4E)-5-(3-methylbut-1-en-2-ylamino)hepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrol-3-yl]buta-1,3-dienyl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 145246863

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine (CID 145246163) is 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine is C=C/C(=C\C(=C/C)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1)NC(=C)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine?
The InChIKey is LVEOVLQFRRKPQH-ZOBJZHJUSA-N. The full InChI is InChI=1S/C25H27N7/c1-6-17(10-19(7-2)28-16(3)15-32(4)5)21-12-20-24(14-27-21)30-31-25(20)22-11-18-8-9-26-13-23(18)29-22/h6-14,28-29H,2-3,15H2,1,4-5H3,(H,30,31)/b17-6+,19-10+.
What are the key properties of 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine?
1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine has a molecular weight of 425.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 145246163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).