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

C23H29N5O5S — CID 177377433

IUPAC7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-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(-c3nccnc3OCC3CC3)c2o1
InChIInChI=1S/C23H29N5O5S/c1-15-11-28(34(3,30)31)9-8-27(15)12-17-10-18-21(33-17)19(13-26(2)23(18)29)20-22(25-7-6-24-20)32-14-16-4-5-16/h6-7,10,13,15-16H,4-5,8-9,11-12,14H2,1-3H3/t15-/m1/s1
InChIKeyZKZGKDZLEYPONV-OAHLLOKOSA-N
MW487.58 g/mol
LogP1.84
Rot. Bonds7

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

7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one (PubChem CID 177377433) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one
PubChem CID177377433
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC Name7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-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(-c3nccnc3OCC3CC3)c2o1
InChIInChI=1S/C23H29N5O5S/c1-15-11-28(34(3,30)31)9-8-27(15)12-17-10-18-21(33-17)19(13-26(2)23(18)29)20-22(25-7-6-24-20)32-14-16-4-5-16/h6-7,10,13,15-16H,4-5,8-9,11-12,14H2,1-3H3/t15-/m1/s1
InChIKeyZKZGKDZLEYPONV-OAHLLOKOSA-N
XLogP1.84
TPSA110.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-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)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one (CID 177377433) is 7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-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)pyrazin-2-yl]-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)pyrazin-2-yl]-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(-c3nccnc3OCC3CC3)c2o1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
The InChIKey is ZKZGKDZLEYPONV-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-15-11-28(34(3,30)31)9-8-27(15)12-17-10-18-21(33-17)19(13-26(2)23(18)29)20-22(25-7-6-24-20)32-14-16-4-5-16/h6-7,10,13,15-16H,4-5,8-9,11-12,14H2,1-3H3/t15-/m1/s1.
What are the key properties of 7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one?
7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one has a molecular weight of 487.58 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethoxy)pyrazin-2-yl]-5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 177377433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).