10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one

C25H25N5O5S — CID 71479377

IUPAC10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESC[C@@H](O)C(=O)N1CCC(n2c(=O)ccc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1
InChIInChI=1S/C25H25N5O5S/c1-15(31)25(33)29-11-9-18(10-12-29)30-22(32)8-4-17-14-26-20-6-5-19(28-23(20)24(17)30)16-3-7-21(27-13-16)36(2,34)35/h3-8,13-15,18,31H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyMUDANORHSZNCBE-OAHLLOKOSA-N
MW507.57 g/mol
LogP1.95
Rot. Bonds4

About 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one

10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71479377) has the molecular formula C25H25N5O5S and a molecular weight of 507.57 g/mol. Its IUPAC name is 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71479377
Molecular FormulaC25H25N5O5S
Molecular Weight507.57 g/mol
Exact Mass507.16
IUPAC Name10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESC[C@@H](O)C(=O)N1CCC(n2c(=O)ccc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1
InChIInChI=1S/C25H25N5O5S/c1-15(31)25(33)29-11-9-18(10-12-29)30-22(32)8-4-17-14-26-20-6-5-19(28-23(20)24(17)30)16-3-7-21(27-13-16)36(2,34)35/h3-8,13-15,18,31H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyMUDANORHSZNCBE-OAHLLOKOSA-N
XLogP1.95
TPSA135.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71479377) is 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one is C[C@@H](O)C(=O)N1CCC(n2c(=O)ccc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1.
What is the InChIKey of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is MUDANORHSZNCBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H25N5O5S/c1-15(31)25(33)29-11-9-18(10-12-29)30-22(32)8-4-17-14-26-20-6-5-19(28-23(20)24(17)30)16-3-7-21(27-13-16)36(2,34)35/h3-8,13-15,18,31H,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 507.57 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71479377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).