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

C22H24ClN5O3S — CID 86694584

IUPAC2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ncc(Cl)cn5)CC4)oc3cn2)CC1
InChIInChI=1S/C22H24ClN5O3S/c1-32(29,30)28-8-4-15(5-9-28)19-10-17-11-20(31-21(17)14-24-19)16-2-6-27(7-3-16)22-25-12-18(23)13-26-22/h4,10-14,16H,2-3,5-9H2,1H3
InChIKeyUPPSRUSVDADRLX-UHFFFAOYSA-N
MW473.99 g/mol
LogP3.70
Rot. Bonds4

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

2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine (PubChem CID 86694584) has the molecular formula C22H24ClN5O3S and a molecular weight of 473.99 g/mol. Its IUPAC name is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine
PubChem CID86694584
Molecular FormulaC22H24ClN5O3S
Molecular Weight473.99 g/mol
Exact Mass473.13
IUPAC Name2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ncc(Cl)cn5)CC4)oc3cn2)CC1
InChIInChI=1S/C22H24ClN5O3S/c1-32(29,30)28-8-4-15(5-9-28)19-10-17-11-20(31-21(17)14-24-19)16-2-6-27(7-3-16)22-25-12-18(23)13-26-22/h4,10-14,16H,2-3,5-9H2,1H3
InChIKeyUPPSRUSVDADRLX-UHFFFAOYSA-N
XLogP3.70
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine?
The IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine (CID 86694584) is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine?
The canonical SMILES for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine is CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ncc(Cl)cn5)CC4)oc3cn2)CC1.
What is the InChIKey of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine?
The InChIKey is UPPSRUSVDADRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3S/c1-32(29,30)28-8-4-15(5-9-28)19-10-17-11-20(31-21(17)14-24-19)16-2-6-27(7-3-16)22-25-12-18(23)13-26-22/h4,10-14,16H,2-3,5-9H2,1H3.
What are the key properties of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine?
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine has a molecular weight of 473.99 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 86694584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).