(4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H18N6O — CID 95551011

IUPAC(4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(CN2CCc3[nH]cnc3[C@H]2c2cnc(-c3ccco3)nc2)c1
InChIInChI=1S/C20H18N6O/c1-3-14(9-21-6-1)12-26-7-5-16-18(25-13-24-16)19(26)15-10-22-20(23-11-15)17-4-2-8-27-17/h1-4,6,8-11,13,19H,5,7,12H2,(H,24,25)/t19-/m1/s1
InChIKeyDEZSPRKZQBIWLV-LJQANCHMSA-N
MW358.41 g/mol
LogP3.00
Rot. Bonds4

About (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95551011) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95551011
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name(4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(CN2CCc3[nH]cnc3[C@H]2c2cnc(-c3ccco3)nc2)c1
InChIInChI=1S/C20H18N6O/c1-3-14(9-21-6-1)12-26-7-5-16-18(25-13-24-16)19(26)15-10-22-20(23-11-15)17-4-2-8-27-17/h1-4,6,8-11,13,19H,5,7,12H2,(H,24,25)/t19-/m1/s1
InChIKeyDEZSPRKZQBIWLV-LJQANCHMSA-N
XLogP3.00
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95551011) is (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cncc(CN2CCc3[nH]cnc3[C@H]2c2cnc(-c3ccco3)nc2)c1.
What is the InChIKey of (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DEZSPRKZQBIWLV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N6O/c1-3-14(9-21-6-1)12-26-7-5-16-18(25-13-24-16)19(26)15-10-22-20(23-11-15)17-4-2-8-27-17/h1-4,6,8-11,13,19H,5,7,12H2,(H,24,25)/t19-/m1/s1.
What are the key properties of (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 358.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95551011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).