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

C19H22FN7O2 — CID 118380824

IUPAC2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide
SMILESCCNc1n[nH]c2cc(NC(=O)NC(C(=O)N(C)C)c3ccc(F)cc3)ncc12
InChIInChI=1S/C19H22FN7O2/c1-4-21-17-13-10-22-15(9-14(13)25-26-17)23-19(29)24-16(18(28)27(2)3)11-5-7-12(20)8-6-11/h5-10,16H,4H2,1-3H3,(H2,21,25,26)(H2,22,23,24,29)
InChIKeyLXKMXZVZUDSMCQ-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.48
Rot. Bonds6

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

2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide (PubChem CID 118380824) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide
PubChem CID118380824
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Name2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide
SMILESCCNc1n[nH]c2cc(NC(=O)NC(C(=O)N(C)C)c3ccc(F)cc3)ncc12
InChIInChI=1S/C19H22FN7O2/c1-4-21-17-13-10-22-15(9-14(13)25-26-17)23-19(29)24-16(18(28)27(2)3)11-5-7-12(20)8-6-11/h5-10,16H,4H2,1-3H3,(H2,21,25,26)(H2,22,23,24,29)
InChIKeyLXKMXZVZUDSMCQ-UHFFFAOYSA-N
XLogP2.48
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide (CID 118380824) is 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide is CCNc1n[nH]c2cc(NC(=O)NC(C(=O)N(C)C)c3ccc(F)cc3)ncc12.
What is the InChIKey of 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
The InChIKey is LXKMXZVZUDSMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-4-21-17-13-10-22-15(9-14(13)25-26-17)23-19(29)24-16(18(28)27(2)3)11-5-7-12(20)8-6-11/h5-10,16H,4H2,1-3H3,(H2,21,25,26)(H2,22,23,24,29).
What are the key properties of 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide?
2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide has a molecular weight of 399.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-(4-fluorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 118380824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).