(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C21H25N5O — CID 119649125

IUPAC(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCCC3CNC)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H25N5O/c1-3-26-20-18(14-23-26)17(12-19(24-20)15-8-5-4-6-9-15)21(27)25-11-7-10-16(25)13-22-2/h4-6,8-9,12,14,16,22H,3,7,10-11,13H2,1-2H3
InChIKeyQTNHFVBDPAGDST-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.94
Rot. Bonds5

About (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119649125) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119649125
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCCC3CNC)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H25N5O/c1-3-26-20-18(14-23-26)17(12-19(24-20)15-8-5-4-6-9-15)21(27)25-11-7-10-16(25)13-22-2/h4-6,8-9,12,14,16,22H,3,7,10-11,13H2,1-2H3
InChIKeyQTNHFVBDPAGDST-UHFFFAOYSA-N
XLogP2.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(2,3-dimethylpiperazin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120571860
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
(6R)-4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 120536024
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55803970
N-(2-cyclopentylpyrazol-3-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55499093
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 32539440

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119649125) is (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CCn1ncc2c(C(=O)N3CCCC3CNC)cc(-c3ccccc3)nc21.
What is the InChIKey of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QTNHFVBDPAGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-26-20-18(14-23-26)17(12-19(24-20)15-8-5-4-6-9-15)21(27)25-11-7-10-16(25)13-22-2/h4-6,8-9,12,14,16,22H,3,7,10-11,13H2,1-2H3.
What are the key properties of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119649125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).