N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

C25H28N8O — CID 14013508

IUPACN-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESc1coc(Cn2c(CC3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3cccnc32)c1
InChIInChI=1S/C25H28N8O/c1-4-21-24(27-8-1)33(17-19-3-2-14-34-19)23(29-21)15-18-6-11-32(12-7-18)13-10-28-25-30-20-5-9-26-16-22(20)31-25/h1-5,8-9,14,16,18H,6-7,10-13,15,17H2,(H2,28,30,31)
InChIKeyVBGGJEQMZDHVQH-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.71
Rot. Bonds8

About N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 14013508) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID14013508
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC NameN-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESc1coc(Cn2c(CC3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3cccnc32)c1
InChIInChI=1S/C25H28N8O/c1-4-21-24(27-8-1)33(17-19-3-2-14-34-19)23(29-21)15-18-6-11-32(12-7-18)13-10-28-25-30-20-5-9-26-16-22(20)31-25/h1-5,8-9,14,16,18H,6-7,10-13,15,17H2,(H2,28,30,31)
InChIKeyVBGGJEQMZDHVQH-UHFFFAOYSA-N
XLogP3.71
TPSA100.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 14013508) is N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is c1coc(Cn2c(CC3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3cccnc32)c1.
What is the InChIKey of N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is VBGGJEQMZDHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-4-21-24(27-8-1)33(17-19-3-2-14-34-19)23(29-21)15-18-6-11-32(12-7-18)13-10-28-25-30-20-5-9-26-16-22(20)31-25/h1-5,8-9,14,16,18H,6-7,10-13,15,17H2,(H2,28,30,31).
What are the key properties of N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 456.55 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 14013508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).