2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide

C19H21FN6O3 — CID 118365240

IUPAC2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide
SMILESCCOc1n[nH]c2cc(NC(=O)NC(C(=O)N(C)C)c3ccc(F)cc3)ncc12
InChIInChI=1S/C19H21FN6O3/c1-4-29-17-13-10-21-15(9-14(13)24-25-17)22-19(28)23-16(18(27)26(2)3)11-5-7-12(20)8-6-11/h5-10,16H,4H2,1-3H3,(H,24,25)(H2,21,22,23,28)
InChIKeyABUGBYHSTAYBEX-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.45
Rot. Bonds6

About 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide

2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide (PubChem CID 118365240) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide
PubChem CID118365240
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC Name2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide
SMILESCCOc1n[nH]c2cc(NC(=O)NC(C(=O)N(C)C)c3ccc(F)cc3)ncc12
InChIInChI=1S/C19H21FN6O3/c1-4-29-17-13-10-21-15(9-14(13)24-25-17)22-19(28)23-16(18(27)26(2)3)11-5-7-12(20)8-6-11/h5-10,16H,4H2,1-3H3,(H,24,25)(H2,21,22,23,28)
InChIKeyABUGBYHSTAYBEX-UHFFFAOYSA-N
XLogP2.45
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl] carbamate
CID 118381017
tert-butyl 6-chloro-3-ethoxypyrazolo[4,3-c]pyridine-1-carboxylate;1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[1-(4-fluorophenyl)ethyl]urea
CID 118272036
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365227
1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365348
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365369
methyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395286
1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(oxolan-3-yloxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118365258
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
2,2-difluoroethyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395281

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide (CID 118365240) is 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide is CCOc1n[nH]c2cc(NC(=O)NC(C(=O)N(C)C)c3ccc(F)cc3)ncc12.
What is the InChIKey of 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
The InChIKey is ABUGBYHSTAYBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3/c1-4-29-17-13-10-21-15(9-14(13)24-25-17)22-19(28)23-16(18(27)26(2)3)11-5-7-12(20)8-6-11/h5-10,16H,4H2,1-3H3,(H,24,25)(H2,21,22,23,28).
What are the key properties of 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide has a molecular weight of 400.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 118365240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).