[5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol

C25H29N9O2 — CID 54573553

IUPAC[5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(Cn2c(CN3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3cccnc32)o1
InChIInChI=1S/C25H29N9O2/c35-17-19-4-3-18(36-19)15-34-23(29-21-2-1-6-27-24(21)34)16-33-12-10-32(11-13-33)9-8-28-25-30-20-5-7-26-14-22(20)31-25/h1-7,14,35H,8-13,15-17H2,(H2,28,30,31)
InChIKeyZYZXCLOOCCGNDQ-UHFFFAOYSA-N
MW487.57 g/mol
LogP2.07
Rot. Bonds9

About [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol

[5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol (PubChem CID 54573553) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
PubChem CID54573553
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC Name[5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(Cn2c(CN3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3cccnc32)o1
InChIInChI=1S/C25H29N9O2/c35-17-19-4-3-18(36-19)15-34-23(29-21-2-1-6-27-24(21)34)16-33-12-10-32(11-13-33)9-8-28-25-30-20-5-7-26-14-22(20)31-25/h1-7,14,35H,8-13,15-17H2,(H2,28,30,31)
InChIKeyZYZXCLOOCCGNDQ-UHFFFAOYSA-N
XLogP2.07
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Noberastine
CID 60531
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
(E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide (3)
CID 122362931
(E)-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]prop-2-enamide
CID 145962646
2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine
CID 162665884
3-[4-[4-[5-(Hydroxymethyl)furan-2-yl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164617535
2-[4-[4-[5-(Hydroxymethyl)furan-2-yl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]acetonitrile
CID 164628502
[5-[[[9-(Oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol
CID 126651161
N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 134480825
(2R,3R,4S,5R)-2-(8-Furan-2-yl-6-phenylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
CID 11327309
[(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol
CID 46942825
[(2S,6R)-6-(6-anilinopurin-9-yl)-4-(furan-2-ylmethyl)morpholin-2-yl]methanol
CID 49792080

Frequently Asked Questions

What is the IUPAC name of [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol (CID 54573553) is [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol is OCc1ccc(Cn2c(CN3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3cccnc32)o1.
What is the InChIKey of [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
The InChIKey is ZYZXCLOOCCGNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c35-17-19-4-3-18(36-19)15-34-23(29-21-2-1-6-27-24(21)34)16-33-12-10-32(11-13-33)9-8-28-25-30-20-5-7-26-14-22(20)31-25/h1-7,14,35H,8-13,15-17H2,(H2,28,30,31).
What are the key properties of [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
[5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol has a molecular weight of 487.57 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 54573553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).