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

C24H28F2N4O5S — CID 86299472

IUPAC7-[3-[(2,2-difluorocyclopropyl)methoxy]-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(F)F)c2o1
InChIInChI=1S/C24H28F2N4O5S/c1-15-11-30(36(3,32)33)7-6-29(15)12-17-8-19-22(35-17)20(13-28(2)23(19)31)18-4-5-27-10-21(18)34-14-16-9-24(16,25)26/h4-5,8,10,13,15-16H,6-7,9,11-12,14H2,1-3H3/t15-,16?/m1/s1
InChIKeyNNADKDPXRPINPF-AAFJCEBUSA-N
MW522.57 g/mol
LogP2.69
Rot. Bonds7

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

7-[3-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one (PubChem CID 86299472) has the molecular formula C24H28F2N4O5S and a molecular weight of 522.57 g/mol. Its IUPAC name is 7-[3-[(2,2-difluorocyclopropyl)methoxy]-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-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
PubChem CID86299472
Molecular FormulaC24H28F2N4O5S
Molecular Weight522.57 g/mol
Exact Mass522.17
IUPAC Name7-[3-[(2,2-difluorocyclopropyl)methoxy]-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(F)F)c2o1
InChIInChI=1S/C24H28F2N4O5S/c1-15-11-30(36(3,32)33)7-6-29(15)12-17-8-19-22(35-17)20(13-28(2)23(19)31)18-4-5-27-10-21(18)34-14-16-9-24(16,25)26/h4-5,8,10,13,15-16H,6-7,9,11-12,14H2,1-3H3/t15-,16?/m1/s1
InChIKeyNNADKDPXRPINPF-AAFJCEBUSA-N
XLogP2.69
TPSA97.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[3-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one 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 7-[3-[(2,2-difluorocyclopropyl)methoxy]-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-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one (CID 86299472) is 7-[3-[(2,2-difluorocyclopropyl)methoxy]-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-[(2,2-difluorocyclopropyl)methoxy]-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-[(2,2-difluorocyclopropyl)methoxy]-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(F)F)c2o1.
What is the InChIKey of 7-[3-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
The InChIKey is NNADKDPXRPINPF-AAFJCEBUSA-N. The full InChI is InChI=1S/C24H28F2N4O5S/c1-15-11-30(36(3,32)33)7-6-29(15)12-17-8-19-22(35-17)20(13-28(2)23(19)31)18-4-5-27-10-21(18)34-14-16-9-24(16,25)26/h4-5,8,10,13,15-16H,6-7,9,11-12,14H2,1-3H3/t15-,16?/m1/s1.
What are the key properties of 7-[3-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
7-[3-[(2,2-difluorocyclopropyl)methoxy]-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 522.57 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2,2-difluorocyclopropyl)methoxy]-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 86299472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).