ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate

C26H31N9O3 — CID 66977212

IUPACethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
SMILESCCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc2n1
InChIInChI=1S/C26H31N9O3/c1-4-27-25(37)32-20-17-34-21(31-20)13-18(14-22(34)35-10-6-9-30-35)19-15-28-24(29-16-19)33-11-7-26(3,8-12-33)23(36)38-5-2/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H2,27,32,37)
InChIKeyMDCODEJALKFBAW-UHFFFAOYSA-N
MW517.59 g/mol
LogP3.29
Rot. Bonds7

About ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate

ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate (PubChem CID 66977212) has the molecular formula C26H31N9O3 and a molecular weight of 517.59 g/mol. Its IUPAC name is ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
PubChem CID66977212
Molecular FormulaC26H31N9O3
Molecular Weight517.59 g/mol
Exact Mass517.25
IUPAC Nameethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
SMILESCCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc2n1
InChIInChI=1S/C26H31N9O3/c1-4-27-25(37)32-20-17-34-21(31-20)13-18(14-22(34)35-10-6-9-30-35)19-15-28-24(29-16-19)33-11-7-26(3,8-12-33)23(36)38-5-2/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H2,27,32,37)
InChIKeyMDCODEJALKFBAW-UHFFFAOYSA-N
XLogP3.29
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate with MolForge

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Related Compounds

Azd-7648
CID 135151360
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 62706815
7-Methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-morpholin-4-ylpurin-8-one
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CID 118538796
1-[4-[5-[1-[(1-Benzyltriazol-4-yl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 145977420
5'-Ethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[oxane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 168280323
2'-[(7-Methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-5'-(trideuteriomethyl)spiro[oxane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 168283017
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CID 58334506
ethyl 3-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-ynoate
CID 89698225
2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199443
oxan-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate (CID 66977212) is ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate is CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc2n1.
What is the InChIKey of ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?
The InChIKey is MDCODEJALKFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O3/c1-4-27-25(37)32-20-17-34-21(31-20)13-18(14-22(34)35-10-6-9-30-35)19-15-28-24(29-16-19)33-11-7-26(3,8-12-33)23(36)38-5-2/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H2,27,32,37).
What are the key properties of ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?
ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate has a molecular weight of 517.59 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 66977212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).