N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C29H27N5O2 — CID 164526321

IUPACN-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(Nc1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C29H27N5O2/c35-29(22-4-5-23-17-31-12-8-21(23)15-22)34-24-3-1-2-19(14-24)16-32-28-25-9-13-36-27(25)26(18-33-28)20-6-10-30-11-7-20/h1-7,10-11,14-15,18,31H,8-9,12-13,16-17H2,(H,32,33)(H,34,35)
InChIKeyWWWWFMSJEKXICM-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.59
Rot. Bonds6

About N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 164526321) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID164526321
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC NameN-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(Nc1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C29H27N5O2/c35-29(22-4-5-23-17-31-12-8-21(23)15-22)34-24-3-1-2-19(14-24)16-32-28-25-9-13-36-27(25)26(18-33-28)20-6-10-30-11-7-20/h1-7,10-11,14-15,18,31H,8-9,12-13,16-17H2,(H,32,33)(H,34,35)
InChIKeyWWWWFMSJEKXICM-UHFFFAOYSA-N
XLogP4.59
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide with MolForge

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Related Compounds

1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide
CID 169091479
1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide
CID 169091496
2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 164526382
methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate
CID 164526399
N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
CID 164526335
5-ethyl-4-(3-methylbutyl)-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-2-carboxamide
CID 164526310
N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
CID 164526355
N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
CID 164526471
7-methyl-N-[3-[[[7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 164526479
N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide
CID 169091485
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-(5-piperidin-4-yloxy-2-pyridinyl)benzamide
CID 164526089
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide
CID 164525696

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 164526321) is N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is O=C(Nc1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is WWWWFMSJEKXICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c35-29(22-4-5-23-17-31-12-8-21(23)15-22)34-24-3-1-2-19(14-24)16-32-28-25-9-13-36-27(25)26(18-33-28)20-6-10-30-11-7-20/h1-7,10-11,14-15,18,31H,8-9,12-13,16-17H2,(H,32,33)(H,34,35).
What are the key properties of N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 164526321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).