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SJUOAVUTJBEKMX-CTYIDZIISA-N

C25H24ClN5O7 — CID 10392551

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C(=O)Nc3ccc(Cl)cn3)c(NC(=O)C3CCC(N4CCOCC4=O)CC3)c2n1
InChIInChI=1S/C25H24ClN5O7/c26-14-3-8-18(27-11-14)29-24(34)22-21(20-17(38-22)7-6-16(28-20)25(35)36)30-23(33)13-1-4-15(5-2-13)31-9-10-37-12-19(31)32/h3,6-8,11,13,15H,1-2,4-5,9-10,12H2,(H,30,33)(H,35,36)(H,27,29,34)
InChIKeySJUOAVUTJBEKMX-UHFFFAOYSA-N
MW541.95 g/mol
LogP3.18
Rot. Bonds6

About SJUOAVUTJBEKMX-CTYIDZIISA-N

SJUOAVUTJBEKMX-CTYIDZIISA-N (PubChem CID 10392551) has the molecular formula C25H24ClN5O7 and a molecular weight of 541.95 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound NameSJUOAVUTJBEKMX-CTYIDZIISA-N
PubChem CID10392551
Molecular FormulaC25H24ClN5O7
Molecular Weight541.95 g/mol
Exact Mass541.14
IUPAC Name2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C(=O)Nc3ccc(Cl)cn3)c(NC(=O)C3CCC(N4CCOCC4=O)CC3)c2n1
InChIInChI=1S/C25H24ClN5O7/c26-14-3-8-18(27-11-14)29-24(34)22-21(20-17(38-22)7-6-16(28-20)25(35)36)30-23(33)13-1-4-15(5-2-13)31-9-10-37-12-19(31)32/h3,6-8,11,13,15H,1-2,4-5,9-10,12H2,(H,30,33)(H,35,36)(H,27,29,34)
InChIKeySJUOAVUTJBEKMX-UHFFFAOYSA-N
XLogP3.18
TPSA163.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.95
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of SJUOAVUTJBEKMX-CTYIDZIISA-N?
The IUPAC name of SJUOAVUTJBEKMX-CTYIDZIISA-N (CID 10392551) is 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for SJUOAVUTJBEKMX-CTYIDZIISA-N?
The canonical SMILES for SJUOAVUTJBEKMX-CTYIDZIISA-N is O=C(O)c1ccc2oc(C(=O)Nc3ccc(Cl)cn3)c(NC(=O)C3CCC(N4CCOCC4=O)CC3)c2n1.
What is the InChIKey of SJUOAVUTJBEKMX-CTYIDZIISA-N?
The InChIKey is SJUOAVUTJBEKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O7/c26-14-3-8-18(27-11-14)29-24(34)22-21(20-17(38-22)7-6-16(28-20)25(35)36)30-23(33)13-1-4-15(5-2-13)31-9-10-37-12-19(31)32/h3,6-8,11,13,15H,1-2,4-5,9-10,12H2,(H,30,33)(H,35,36)(H,27,29,34).
What are the key properties of SJUOAVUTJBEKMX-CTYIDZIISA-N?
SJUOAVUTJBEKMX-CTYIDZIISA-N has a molecular weight of 541.95 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for SJUOAVUTJBEKMX-CTYIDZIISA-N is sourced from PubChem (CID 10392551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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