methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate

C16H17N3O3 — CID 124725421

IUPACmethyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H]2CCn3nccc3C2)cc1
InChIInChI=1S/C16H17N3O3/c1-22-16(21)12-4-2-11(3-5-12)15(20)18-13-7-9-19-14(10-13)6-8-17-19/h2-6,8,13H,7,9-10H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyFFZFDSSTBGGREH-CYBMUJFWSA-N
MW299.33 g/mol
LogP1.41
Rot. Bonds3

About methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate

methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate (PubChem CID 124725421) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
PubChem CID124725421
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namemethyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H]2CCn3nccc3C2)cc1
InChIInChI=1S/C16H17N3O3/c1-22-16(21)12-4-2-11(3-5-12)15(20)18-13-7-9-19-14(10-13)6-8-17-19/h2-6,8,13H,7,9-10H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyFFZFDSSTBGGREH-CYBMUJFWSA-N
XLogP1.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate with MolForge

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Related Compounds

[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate
CID 124759602
3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101493
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124891885
2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101471
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]pyrazine-2-carboxamide
CID 124759114
2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
CID 124760369
2-cyclopropyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892890
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
2-pyrazol-1-yl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 129355323
2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892185
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 121018766

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate (CID 124725421) is methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N[C@@H]2CCn3nccc3C2)cc1.
What is the InChIKey of methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate?
The InChIKey is FFZFDSSTBGGREH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-16(21)12-4-2-11(3-5-12)15(20)18-13-7-9-19-14(10-13)6-8-17-19/h2-6,8,13H,7,9-10H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate?
methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate has a molecular weight of 299.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate is sourced from PubChem (CID 124725421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).