ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H27N5O3 — CID 26142683

IUPACethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ncc(C)[nH]1)CC2
InChIInChI=1S/C23H27N5O3/c1-3-31-23(30)20-18-15-27(22(29)21-24-14-16(2)25-21)13-11-19(18)28(26-20)12-7-10-17-8-5-4-6-9-17/h4-6,8-9,14H,3,7,10-13,15H2,1-2H3,(H,24,25)
InChIKeyQCDKABRQGCDPAD-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.92
Rot. Bonds7

About ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26142683) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26142683
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Nameethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ncc(C)[nH]1)CC2
InChIInChI=1S/C23H27N5O3/c1-3-31-23(30)20-18-15-27(22(29)21-24-14-16(2)25-21)13-11-19(18)28(26-20)12-7-10-17-8-5-4-6-9-17/h4-6,8-9,14H,3,7,10-13,15H2,1-2H3,(H,24,25)
InChIKeyQCDKABRQGCDPAD-UHFFFAOYSA-N
XLogP2.92
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]prop-1-ynyl]benzoate
CID 44236506
ethyl 4-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]prop-1-ynyl]benzoate
CID 57429605
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
Propan-2-yl 1-methyl-4-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-5-carboxylate
CID 165415034
ethyl 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 57394913
Ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708352
Ethyl 6-[(2-phenylacetyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732307
Ethyl 6-[(2-phenylacetyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732309
ethyl 2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]prop-1-ynyl]benzoate
CID 137640112
5-{5-Methyl-2-[(pyridin-4-ylmethyl)-carbamoyl]-3H-imidazol-4-yl}-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester
CID 66989117
US8785489, ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]-1H-imidazol-4-yl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 66989565
methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866036

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26142683) is ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ncc(C)[nH]1)CC2.
What is the InChIKey of ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is QCDKABRQGCDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-31-23(30)20-18-15-27(22(29)21-24-14-16(2)25-21)13-11-19(18)28(26-20)12-7-10-17-8-5-4-6-9-17/h4-6,8-9,14H,3,7,10-13,15H2,1-2H3,(H,24,25).
What are the key properties of ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26142683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).