(2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine

C25H31N5O3S — CID 71208637

IUPAC(2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(C5CC5)cn4)CC2)C3)CC1
InChIInChI=1S/C25H31N5O3S/c1-34(31,32)30-10-6-18(7-11-30)22-12-20-13-23(33-24(20)16-26-22)19-4-8-29(9-5-19)25-27-14-21(15-28-25)17-2-3-17/h6,12,14-17,19,23H,2-5,7-11,13H2,1H3/t23-/m1/s1
InChIKeyGPHDDBOESAIKHK-HSZRJFAPSA-N
MW481.62 g/mol
LogP3.02
Rot. Bonds5

About (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine

(2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71208637) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name(2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71208637
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name(2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(C5CC5)cn4)CC2)C3)CC1
InChIInChI=1S/C25H31N5O3S/c1-34(31,32)30-10-6-18(7-11-30)22-12-20-13-23(33-24(20)16-26-22)19-4-8-29(9-5-19)25-27-14-21(15-28-25)17-2-3-17/h6,12,14-17,19,23H,2-5,7-11,13H2,1H3/t23-/m1/s1
InChIKeyGPHDDBOESAIKHK-HSZRJFAPSA-N
XLogP3.02
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine (CID 71208637) is (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine is CS(=O)(=O)N1CC=C(c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(C5CC5)cn4)CC2)C3)CC1.
What is the InChIKey of (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is GPHDDBOESAIKHK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-34(31,32)30-10-6-18(7-11-30)22-12-20-13-23(33-24(20)16-26-22)19-4-8-29(9-5-19)25-27-14-21(15-28-25)17-2-3-17/h6,12,14-17,19,23H,2-5,7-11,13H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine?
(2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 481.62 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71208637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).