ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate

C18H22N6O3 — CID 137259126

IUPACethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate
SMILESCCOC(=O)C1NNCC1C1CC(=O)Nc2c1c(-c1ccccn1)nn2C
InChIInChI=1S/C18H22N6O3/c1-3-27-18(26)15-11(9-20-22-15)10-8-13(25)21-17-14(10)16(23-24(17)2)12-6-4-5-7-19-12/h4-7,10-11,15,20,22H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyQZIVWYJXIWOIPT-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.56
Rot. Bonds4

About ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate

ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate (PubChem CID 137259126) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate
PubChem CID137259126
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Nameethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate
SMILESCCOC(=O)C1NNCC1C1CC(=O)Nc2c1c(-c1ccccn1)nn2C
InChIInChI=1S/C18H22N6O3/c1-3-27-18(26)15-11(9-20-22-15)10-8-13(25)21-17-14(10)16(23-24(17)2)12-6-4-5-7-19-12/h4-7,10-11,15,20,22H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyQZIVWYJXIWOIPT-UHFFFAOYSA-N
XLogP0.56
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882356
ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate
CID 75590255
(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713742
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135988357
4-(1,3-benzothiazol-7-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412653
4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171389191
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171388370
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
4-(5-chloro-3-methyl-2-pyridinyl)-1-methyl-3-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136640010
ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 23000180
ethyl 4-(4-pyridin-2-ylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 169091392
2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
CID 136826050

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate?
The IUPAC name of ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate (CID 137259126) is ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate?
The canonical SMILES for ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate is CCOC(=O)C1NNCC1C1CC(=O)Nc2c1c(-c1ccccn1)nn2C.
What is the InChIKey of ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate?
The InChIKey is QZIVWYJXIWOIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-3-27-18(26)15-11(9-20-22-15)10-8-13(25)21-17-14(10)16(23-24(17)2)12-6-4-5-7-19-12/h4-7,10-11,15,20,22H,3,8-9H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate?
ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate is sourced from PubChem (CID 137259126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).