1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione

C25H25FN8O2 — CID 155281910

IUPAC1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(c2ccc(Nc3ncc(F)c(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)CC1=O
InChIInChI=1S/C25H25FN8O2/c1-4-32-13-23(36)33(14-22(32)35)17-5-6-21(27-10-17)30-25-28-12-19(26)24(31-25)16-7-8-34-20(9-16)18(11-29-34)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,27,28,30,31)
InChIKeyFICXLALYQJPSEM-UHFFFAOYSA-N
MW488.53 g/mol
LogP3.39
Rot. Bonds6

About 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione

1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione (PubChem CID 155281910) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione
PubChem CID155281910
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(c2ccc(Nc3ncc(F)c(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)CC1=O
InChIInChI=1S/C25H25FN8O2/c1-4-32-13-23(36)33(14-22(32)35)17-5-6-21(27-10-17)30-25-28-12-19(26)24(31-25)16-7-8-34-20(9-16)18(11-29-34)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,27,28,30,31)
InChIKeyFICXLALYQJPSEM-UHFFFAOYSA-N
XLogP3.39
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine
CID 155281921
4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one
CID 167701246
4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 155281861
4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-1-(2-hydroxyethyl)-1,4-diazepan-5-one
CID 167677953
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155282165
4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167580077
4-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-1,4-diazabicyclo[3.2.2]nonan-3-one
CID 134342331
4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 134342213
1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 155281963
1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-(2-methylsulfonylethyl)piperazin-2-one
CID 155282350
N-[5-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118859766
4-ethyl-1-[[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-2-one;5-N-(1-ethylpiperidin-4-yl)-2-N-[5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine
CID 145006748

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione (CID 155281910) is 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione is CCN1CC(=O)N(c2ccc(Nc3ncc(F)c(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)CC1=O.
What is the InChIKey of 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione?
The InChIKey is FICXLALYQJPSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-4-32-13-23(36)33(14-22(32)35)17-5-6-21(27-10-17)30-25-28-12-19(26)24(31-25)16-7-8-34-20(9-16)18(11-29-34)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,27,28,30,31).
What are the key properties of 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione?
1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione has a molecular weight of 488.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione is sourced from PubChem (CID 155281910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).