4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C23H20N6 — CID 70716202

IUPAC4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc(CNc2cc(-c3ccc(Cn4ccnc4)cc3)c3cc[nH]c3n2)ccn1
InChIInChI=1S/C23H20N6/c1-3-19(4-2-18(1)15-29-12-11-25-16-29)21-13-22(28-23-20(21)7-10-26-23)27-14-17-5-8-24-9-6-17/h1-13,16H,14-15H2,(H2,26,27,28)
InChIKeyROPSNHPSQAUKLF-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.48
Rot. Bonds6

About 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70716202) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70716202
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc(CNc2cc(-c3ccc(Cn4ccnc4)cc3)c3cc[nH]c3n2)ccn1
InChIInChI=1S/C23H20N6/c1-3-19(4-2-18(1)15-29-12-11-25-16-29)21-13-22(28-23-20(21)7-10-26-23)27-14-17-5-8-24-9-6-17/h1-13,16H,14-15H2,(H2,26,27,28)
InChIKeyROPSNHPSQAUKLF-UHFFFAOYSA-N
XLogP4.48
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70716202) is 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is c1cc(CNc2cc(-c3ccc(Cn4ccnc4)cc3)c3cc[nH]c3n2)ccn1.
What is the InChIKey of 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ROPSNHPSQAUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-3-19(4-2-18(1)15-29-12-11-25-16-29)21-13-22(28-23-20(21)7-10-26-23)27-14-17-5-8-24-9-6-17/h1-13,16H,14-15H2,(H2,26,27,28).
What are the key properties of 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 380.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70716202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).