6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile

C26H23ClFN5O2 — CID 151360411

IUPAC6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(C)c1nccc(CN(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C26H23ClFN5O2/c1-14(2)21-23(15(9-10-30-21)13-32(3)4)33-25-17(24(34)18(12-29)26(33)35)11-19(27)22(31-25)16-7-5-6-8-20(16)28/h5-11,14,34H,13H2,1-4H3
InChIKeyOOIXNJDPVLFNJT-UHFFFAOYSA-N
MW491.95 g/mol
LogP5.00
Rot. Bonds5

About 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile

6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 151360411) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID151360411
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC Name6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(C)c1nccc(CN(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C26H23ClFN5O2/c1-14(2)21-23(15(9-10-30-21)13-32(3)4)33-25-17(24(34)18(12-29)26(33)35)11-19(27)22(31-25)16-7-5-6-8-20(16)28/h5-11,14,34H,13H2,1-4H3
InChIKeyOOIXNJDPVLFNJT-UHFFFAOYSA-N
XLogP5.00
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.95
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 151360411) is 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile is CC(C)c1nccc(CN(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is OOIXNJDPVLFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c1-14(2)21-23(15(9-10-30-21)13-32(3)4)33-25-17(24(34)18(12-29)26(33)35)11-19(27)22(31-25)16-7-5-6-8-20(16)28/h5-11,14,34H,13H2,1-4H3.
What are the key properties of 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 491.95 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 151360411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).