N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine

C26H20N8O — CID 24983298

IUPACN-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccncc4[nH]3)c3ccccc23)n1
InChIInChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34)
InChIKeyQHQWGJPISLNJMT-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.54
Rot. Bonds6

About N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine

N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 24983298) has the molecular formula C26H20N8O and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID24983298
Molecular FormulaC26H20N8O
Molecular Weight460.50 g/mol
Exact Mass460.18
IUPAC NameN-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccncc4[nH]3)c3ccccc23)n1
InChIInChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34)
InChIKeyQHQWGJPISLNJMT-UHFFFAOYSA-N
XLogP5.54
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 24983298) is N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccncc4[nH]3)c3ccccc23)n1.
What is the InChIKey of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is QHQWGJPISLNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34).
What are the key properties of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine?
N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 460.50 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 24983298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).