(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H19N5O — CID 95220026

IUPAC(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(-n2cccc2[C@H]2c3nc[nH]c3CCN2Cc2ccco2)nc1
InChIInChI=1S/C20H19N5O/c1-2-9-21-18(7-1)25-10-3-6-17(25)20-19-16(22-14-23-19)8-11-24(20)13-15-5-4-12-26-15/h1-7,9-10,12,14,20H,8,11,13H2,(H,22,23)/t20-/m0/s1
InChIKeyZPVRJTFREWMJGP-FQEVSTJZSA-N
MW345.41 g/mol
LogP3.34
Rot. Bonds4

About (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95220026) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95220026
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(-n2cccc2[C@H]2c3nc[nH]c3CCN2Cc2ccco2)nc1
InChIInChI=1S/C20H19N5O/c1-2-9-21-18(7-1)25-10-3-6-17(25)20-19-16(22-14-23-19)8-11-24(20)13-15-5-4-12-26-15/h1-7,9-10,12,14,20H,8,11,13H2,(H,22,23)/t20-/m0/s1
InChIKeyZPVRJTFREWMJGP-FQEVSTJZSA-N
XLogP3.34
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56895048
2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 95212727
5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole
CID 95896778
(4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95196713
3-methyl-5-[[(4S)-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
CID 95216096
4-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56718192
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95205451
3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole
CID 136563431
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710
N-[4-[(4S)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95228510

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95220026) is (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1ccc(-n2cccc2[C@H]2c3nc[nH]c3CCN2Cc2ccco2)nc1.
What is the InChIKey of (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ZPVRJTFREWMJGP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-9-21-18(7-1)25-10-3-6-17(25)20-19-16(22-14-23-19)8-11-24(20)13-15-5-4-12-26-15/h1-7,9-10,12,14,20H,8,11,13H2,(H,22,23)/t20-/m0/s1.
What are the key properties of (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 345.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95220026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).