ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate

C19H21FN6O2 — CID 123837369

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCNC1
InChIInChI=1S/C19H21FN6O2/c1-2-28-19(27)14-9-23-18(25-17(14)24-13-4-3-7-21-8-13)15-10-22-16-6-5-12(20)11-26(15)16/h5-6,9-11,13,21H,2-4,7-8H2,1H3,(H,23,24,25)
InChIKeyNOGLKGXVYTZUPE-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate (PubChem CID 123837369) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate
PubChem CID123837369
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCNC1
InChIInChI=1S/C19H21FN6O2/c1-2-28-19(27)14-9-23-18(25-17(14)24-13-4-3-7-21-8-13)15-10-22-16-6-5-12(20)11-26(15)16/h5-6,9-11,13,21H,2-4,7-8H2,1H3,(H,23,24,25)
InChIKeyNOGLKGXVYTZUPE-UHFFFAOYSA-N
XLogP2.27
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66574145
N-(4-(4-(2-(tert-Butyl)-6-methylpyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 117870490
N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118710465
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
Ethyl 6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridine-3-carboxylate
CID 58299657
Methyl 2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylate
CID 68169812
Ethyl 4-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylate
CID 68169960
US9981944, Example 130
CID 122478522
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
CID 139344294
4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate (CID 123837369) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCNC1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
The InChIKey is NOGLKGXVYTZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-2-28-19(27)14-9-23-18(25-17(14)24-13-4-3-7-21-8-13)15-10-22-16-6-5-12(20)11-26(15)16/h5-6,9-11,13,21H,2-4,7-8H2,1H3,(H,23,24,25).
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate has a molecular weight of 384.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(piperidin-3-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 123837369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).