5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one

C19H24FN5O — CID 144999609

IUPAC5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one
SMILESCC1(C)CCc2c(-c3cc(F)nc(NCC4CCC(=O)N4)c3)n[nH]c2C1
InChIInChI=1S/C19H24FN5O/c1-19(2)6-5-13-14(9-19)24-25-18(13)11-7-15(20)23-16(8-11)21-10-12-3-4-17(26)22-12/h7-8,12H,3-6,9-10H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyUHAFDIPWHXAIDB-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.82
Rot. Bonds4

About 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one

5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one (PubChem CID 144999609) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one
PubChem CID144999609
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one
SMILESCC1(C)CCc2c(-c3cc(F)nc(NCC4CCC(=O)N4)c3)n[nH]c2C1
InChIInChI=1S/C19H24FN5O/c1-19(2)6-5-13-14(9-19)24-25-18(13)11-7-15(20)23-16(8-11)21-10-12-3-4-17(26)22-12/h7-8,12H,3-6,9-10H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyUHAFDIPWHXAIDB-UHFFFAOYSA-N
XLogP2.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-((6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-((S)-1-(4-fluorophenyl)ethylamino)pyridin-3-yl)methyl)-5-oxopyrrolidine-2-carboxamide
CID 67456266
US11142525, Example 22
CID 146593069
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide
CID 135870701
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 20863036
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 20863181
1-[(3S)-3-{[5-(1,5-dimethyl-1H-pyrazol-
CID 176509547
N-cyclopentyl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863151
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(propan-2-yl)propanamide
CID 20863194
N-(Butan-2-YL)-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-A]pyrimidin-6-YL]propanamide
CID 20863196
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 20863213
N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 50948132
1-[3-[[2-(3-Fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
CID 56662271

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one (CID 144999609) is 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one is CC1(C)CCc2c(-c3cc(F)nc(NCC4CCC(=O)N4)c3)n[nH]c2C1.
What is the InChIKey of 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is UHAFDIPWHXAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-19(2)6-5-13-14(9-19)24-25-18(13)11-7-15(20)23-16(8-11)21-10-12-3-4-17(26)22-12/h7-8,12H,3-6,9-10H2,1-2H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 357.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 144999609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).