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

C20H26FN5O — CID 144999979

IUPAC5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(F)n1
InChIInChI=1S/C20H26FN5O/c1-20(2)7-6-14-15(10-20)24-25-19(14)12-8-16(21)23-17(9-12)22-11-13-4-5-18(27)26(13)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyRQLRJTCJWCUFBH-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.16
Rot. Bonds4

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

5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one (PubChem CID 144999979) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one
PubChem CID144999979
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(F)n1
InChIInChI=1S/C20H26FN5O/c1-20(2)7-6-14-15(10-20)24-25-19(14)12-8-16(21)23-17(9-12)22-11-13-4-5-18(27)26(13)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyRQLRJTCJWCUFBH-UHFFFAOYSA-N
XLogP3.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
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]-1-methylpyrrolidin-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
1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 92044689
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylpropanamide
CID 136961412
7-methyl-4-(3-methylphenyl)-6-[(3-methyl-1H-pyrazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 56706026
N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-3-pyrrolidinyl]acetamide
CID 70787353
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
US20240124439, Example 95
CID 164532273
US20240124439, Example 97
CID 164532276
1-[(3S)-3-{[5-(1,5-dimethyl-1H-pyrazol-
CID 176509547

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]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one (CID 144999979) is 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-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]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one is CN1C(=O)CCC1CNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(F)n1.
What is the InChIKey of 5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is RQLRJTCJWCUFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-20(2)7-6-14-15(10-20)24-25-19(14)12-8-16(21)23-17(9-12)22-11-13-4-5-18(27)26(13)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,22,23)(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]-1-methylpyrrolidin-2-one?
5-[[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 371.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 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]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 144999979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).