ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

C15H17ClN3O4+ — CID 140876356

IUPACethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILES[CH2+]C(C)(C)OC(=O)Nc1cc2c(C(=O)OCC)cnn2cc1Cl
InChIInChI=1S/C15H16ClN3O4/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4/h6-8H,2,5H2,1,3-4H3/p+1
InChIKeyHPENRTRFPTWCGF-UHFFFAOYSA-O
MW338.77 g/mol
LogP3.33
Rot. Bonds4

About ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 140876356) has the molecular formula C15H17ClN3O4+ and a molecular weight of 338.77 g/mol. Its IUPAC name is ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID140876356
Molecular FormulaC15H17ClN3O4+
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC Nameethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILES[CH2+]C(C)(C)OC(=O)Nc1cc2c(C(=O)OCC)cnn2cc1Cl
InChIInChI=1S/C15H16ClN3O4/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4/h6-8H,2,5H2,1,3-4H3/p+1
InChIKeyHPENRTRFPTWCGF-UHFFFAOYSA-O
XLogP3.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
CID 10960333
Ethyl 2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137654216
Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate
CID 59476232
Ethyl 5-amino-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 89618402
5-{[(Tert-butoxy)carbonyl]amino}pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 118981432
Ethyl 5-amino-6-fluoropyrazolo(1,5-a)pyridine-3-carboxylate
CID 137951714
Butyl 2-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137644430
Ethyl 2-(3-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137645041
ethyl 7-chloro-1-methyl-1H-pyrazolo(4,3-b)pyridine-6-carboxylate
CID 76847135
Methyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate
CID 117273567
Ethyl 5-(aminomethyl)pyrazolo(1,5-a)pyridine-3-carboxylate hydrochloride
CID 138987322

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 140876356) is ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is [CH2+]C(C)(C)OC(=O)Nc1cc2c(C(=O)OCC)cnn2cc1Cl.
What is the InChIKey of ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is HPENRTRFPTWCGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16ClN3O4/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4/h6-8H,2,5H2,1,3-4H3/p+1.
What are the key properties of ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 338.77 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-5-(2-methylpropan-2-yloxycarbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 140876356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).