4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one

C28H37FN6O3 — CID 138594347

IUPAC4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCC(COc2ccc(F)c3c2N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)CC1
InChIInChI=1S/C28H37FN6O3/c1-32-13-8-18(9-14-32)17-38-21-7-6-20(29)22-23(21)34(3)26(37)28(22)10-15-35(16-11-28)27-30-24-19(25(36)31-27)5-4-12-33(24)2/h6-7,18H,4-5,8-17H2,1-3H3,(H,30,31,36)
InChIKeyWYTUGHZNWBVIBE-UHFFFAOYSA-N
MW524.64 g/mol
LogP2.53
Rot. Bonds4

About 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one

4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 138594347) has the molecular formula C28H37FN6O3 and a molecular weight of 524.64 g/mol. Its IUPAC name is 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one
PubChem CID138594347
Molecular FormulaC28H37FN6O3
Molecular Weight524.64 g/mol
Exact Mass524.29
IUPAC Name4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCC(COc2ccc(F)c3c2N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)CC1
InChIInChI=1S/C28H37FN6O3/c1-32-13-8-18(9-14-32)17-38-21-7-6-20(29)22-23(21)34(3)26(37)28(22)10-15-35(16-11-28)27-30-24-19(25(36)31-27)5-4-12-33(24)2/h6-7,18H,4-5,8-17H2,1-3H3,(H,30,31,36)
InChIKeyWYTUGHZNWBVIBE-UHFFFAOYSA-N
XLogP2.53
TPSA85.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one (CID 138594347) is 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one is CN1CCC(COc2ccc(F)c3c2N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)CC1.
What is the InChIKey of 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is WYTUGHZNWBVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN6O3/c1-32-13-8-18(9-14-32)17-38-21-7-6-20(29)22-23(21)34(3)26(37)28(22)10-15-35(16-11-28)27-30-24-19(25(36)31-27)5-4-12-33(24)2/h6-7,18H,4-5,8-17H2,1-3H3,(H,30,31,36).
What are the key properties of 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one?
4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 524.64 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-[(1-methylpiperidin-4-yl)methoxy]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).