tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane

C25H35FN6O3 — CID 155572371

IUPACtert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)C(F)C1
InChIInChI=1S/C23H29FN6O3.C2H6/c1-23(2,3)33-22(32)29-9-8-18(17(24)13-29)27-21-26-12-15-10-14(11-25)20(31)30(19(15)28-21)16-6-4-5-7-16;1-2/h10,12,16-18H,4-9,13H2,1-3H3,(H,26,27,28);1-2H3
InChIKeyYTQIUESKUYVYGE-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.56
Rot. Bonds3

About tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane

tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane (PubChem CID 155572371) has the molecular formula C25H35FN6O3 and a molecular weight of 486.59 g/mol. Its IUPAC name is tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane
PubChem CID155572371
Molecular FormulaC25H35FN6O3
Molecular Weight486.59 g/mol
Exact Mass486.28
IUPAC Nametert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)C(F)C1
InChIInChI=1S/C23H29FN6O3.C2H6/c1-23(2,3)33-22(32)29-9-8-18(17(24)13-29)27-21-26-12-15-10-14(11-25)20(31)30(19(15)28-21)16-6-4-5-7-16;1-2/h10,12,16-18H,4-9,13H2,1-3H3,(H,26,27,28);1-2H3
InChIKeyYTQIUESKUYVYGE-UHFFFAOYSA-N
XLogP4.56
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane 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

8-cyclopentyl-2-[[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458866
tert-butyl 4-[4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-2-fluorophenyl]piperazine-1-carboxylate
CID 155458493
tert-butyl 4-[4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 155458519
tert-butyl 4-[4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 155458479
8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458571
2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide
CID 167653176
tert-butyl (3R,4S)-3-fluoro-4-[[5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 171468905
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
8-cyclopentyl-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458593
8-cyclopentyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
CID 167674624
8-cyclopentyl-7-oxo-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572173
tert-butyl 4-[4-[[6-cyano-8-(2,3-dihydro-1H-inden-1-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate
CID 155572174

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane (CID 155572371) is tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)C(F)C1.
What is the InChIKey of tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane?
The InChIKey is YTQIUESKUYVYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O3.C2H6/c1-23(2,3)33-22(32)29-9-8-18(17(24)13-29)27-21-26-12-15-10-14(11-25)20(31)30(19(15)28-21)16-6-4-5-7-16;1-2/h10,12,16-18H,4-9,13H2,1-3H3,(H,26,27,28);1-2H3.
What are the key properties of tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane?
tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane has a molecular weight of 486.59 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidine-1-carboxylate;ethane is sourced from PubChem (CID 155572371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).