3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C24H22FN5O2 — CID 70293396

IUPAC3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4cccnc4)c3)c2=O)CC1
InChIInChI=1S/C24H22FN5O2/c25-17-12-21-22(28-14-17)29(20-5-1-3-15(11-20)16-4-2-10-27-13-16)24(32)30(23(21)31)19-8-6-18(26)7-9-19/h1-5,10-14,18-19H,6-9,26H2
InChIKeyKVENYQJJRCMBOS-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.19
Rot. Bonds3

About 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 70293396) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID70293396
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4cccnc4)c3)c2=O)CC1
InChIInChI=1S/C24H22FN5O2/c25-17-12-21-22(28-14-17)29(20-5-1-3-15(11-20)16-4-2-10-27-13-16)24(32)30(23(21)31)19-8-6-18(26)7-9-19/h1-5,10-14,18-19H,6-9,26H2
InChIKeyKVENYQJJRCMBOS-UHFFFAOYSA-N
XLogP3.19
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 70293396) is 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4cccnc4)c3)c2=O)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KVENYQJJRCMBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-17-12-21-22(28-14-17)29(20-5-1-3-15(11-20)16-4-2-10-27-13-16)24(32)30(23(21)31)19-8-6-18(26)7-9-19/h1-5,10-14,18-19H,6-9,26H2.
What are the key properties of 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 431.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 70293396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).