7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one

C24H30N4O5S — CID 118662537

IUPAC7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2o1
InChIInChI=1S/C24H30N4O5S/c1-16-12-28(34(3,30)31)9-8-27(16)13-18-10-20-23(33-18)21(14-26(2)24(20)29)19-6-7-25-11-22(19)32-15-17-4-5-17/h6-7,10-11,14,16-17H,4-5,8-9,12-13,15H2,1-3H3/t16-/m1/s1
InChIKeyPQMREPVBNKVBFM-MRXNPFEDSA-N
MW486.59 g/mol
LogP2.45
Rot. Bonds7

About 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one

7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one (PubChem CID 118662537) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
PubChem CID118662537
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2o1
InChIInChI=1S/C24H30N4O5S/c1-16-12-28(34(3,30)31)9-8-27(16)13-18-10-20-23(33-18)21(14-26(2)24(20)29)19-6-7-25-11-22(19)32-15-17-4-5-17/h6-7,10-11,14,16-17H,4-5,8-9,12-13,15H2,1-3H3/t16-/m1/s1
InChIKeyPQMREPVBNKVBFM-MRXNPFEDSA-N
XLogP2.45
TPSA97.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one
CID 90156300
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid isopropyl ester
CID 86694579
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid 1-methyl-cyclopropyl ester
CID 86694581
N-[4-[5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299394
7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
CID 177377433
7-(3-((2,2-difluorocyclopropyl)methoxy)pyridin-4-yl)-5-methyl-2-(((R)-2-methyl-4-(methylsulfonyl)piperazin-1-yl)methyl)furo[3,2-c]pyridin-4(5H)-one
CID 86299472
2-((3,3-difluoropiperidin-1-yl)methyl)-5-methyl-7-(2-((tetrahydro-2H-pyran-4-yl)methoxy)pyridin-4-yl)furo[3,2-c]pyridin-4(5H)-one
CID 86299511
7-[3-(2-fluoroethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
CID 86299614
7-[3-(2,2-difluoroethoxy)pyridin-4-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
CID 86299674
7-[3-(2,2-Difluoroethoxy)-4-pyridinyl]-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
CID 118662564
7-[3-[(2,2-Difluorocyclopropyl)methoxy]-4-pyridinyl]-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
CID 118662578
7-[3-(2-Fluoroethoxy)-4-pyridinyl]-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
CID 118662613

Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one (CID 118662537) is 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one is C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2o1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
The InChIKey is PQMREPVBNKVBFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-16-12-28(34(3,30)31)9-8-27(16)13-18-10-20-23(33-18)21(14-26(2)24(20)29)19-6-7-25-11-22(19)32-15-17-4-5-17/h6-7,10-11,14,16-17H,4-5,8-9,12-13,15H2,1-3H3/t16-/m1/s1.
What are the key properties of 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one has a molecular weight of 486.59 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 118662537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).