ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate

C26H30N6O5 — CID 126729708

IUPACethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate
SMILESCCOC(=O)N(c1c(C(=O)c2cnn(C)c2)oc2cnc(-c3cnn(C)c3)cc12)C1CCO[C@@H](CC)C1
InChIInChI=1S/C26H30N6O5/c1-5-19-9-18(7-8-36-19)32(26(34)35-6-2)23-20-10-21(16-11-28-30(3)14-16)27-13-22(20)37-25(23)24(33)17-12-29-31(4)15-17/h10-15,18-19H,5-9H2,1-4H3/t18?,19-/m0/s1
InChIKeyJVQMSXAFEJEZHH-GGYWPGCISA-N
MW506.56 g/mol
LogP4.11
Rot. Bonds7

About ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate

ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate (PubChem CID 126729708) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate
PubChem CID126729708
Molecular FormulaC26H30N6O5
Molecular Weight506.56 g/mol
Exact Mass506.23
IUPAC Nameethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate
SMILESCCOC(=O)N(c1c(C(=O)c2cnn(C)c2)oc2cnc(-c3cnn(C)c3)cc12)C1CCO[C@@H](CC)C1
InChIInChI=1S/C26H30N6O5/c1-5-19-9-18(7-8-36-19)32(26(34)35-6-2)23-20-10-21(16-11-28-30(3)14-16)27-13-22(20)37-25(23)24(33)17-12-29-31(4)15-17/h10-15,18-19H,5-9H2,1-4H3/t18?,19-/m0/s1
InChIKeyJVQMSXAFEJEZHH-GGYWPGCISA-N
XLogP4.11
TPSA117.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate with MolForge

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Related Compounds

ethyl 5-bromo-3-[ethoxycarbonyl-[(2S)-2-ethyloxan-4-yl]amino]furo[2,3-c]pyridine-2-carboxylate
CID 126729706
ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate
CID 159267100
ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate
CID 123333267
ethyl 5-[5-(1,3-diiminopropan-2-yl)-2-(1-methylpyrazole-4-carbonyl)furo[2,3-c]pyridin-3-yl]-4-(2-ethyloxan-4-yl)pentanoate
CID 123918174
3-(2-ethyloxan-4-yl)-12-(2-methyl-1,3-oxazol-5-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),5,9,11-pentaen-4-one
CID 123229495
ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate
CID 126729772
ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate
CID 125499088
ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
1-[(2S,4S)-2-ethyloxan-4-yl]-4-(1-methylpyrazol-4-yl)-2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine-7-carbonitrile
CID 86573000
methyl 5-(1-methylpyrazol-4-yl)-1-(oxolan-2-ylmethyl)triazole-4-carboxylate
CID 103115286
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 55425836

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate (CID 126729708) is ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate is CCOC(=O)N(c1c(C(=O)c2cnn(C)c2)oc2cnc(-c3cnn(C)c3)cc12)C1CCO[C@@H](CC)C1.
What is the InChIKey of ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate?
The InChIKey is JVQMSXAFEJEZHH-GGYWPGCISA-N. The full InChI is InChI=1S/C26H30N6O5/c1-5-19-9-18(7-8-36-19)32(26(34)35-6-2)23-20-10-21(16-11-28-30(3)14-16)27-13-22(20)37-25(23)24(33)17-12-29-31(4)15-17/h10-15,18-19H,5-9H2,1-4H3/t18?,19-/m0/s1.
What are the key properties of ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate?
ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate has a molecular weight of 506.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 126729708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).