4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine

C22H27FN6O — CID 144999653

IUPAC4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine
SMILESCc1nc(C2(Nc3cc(-c4n[nH]c5c4CCC(C)(C)C5)cc(F)n3)CCCC2)no1
InChIInChI=1S/C22H27FN6O/c1-13-24-20(29-30-13)22(7-4-5-8-22)26-18-11-14(10-17(23)25-18)19-15-6-9-21(2,3)12-16(15)27-28-19/h10-11H,4-9,12H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyPLGOVGZNMAARJA-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.70
Rot. Bonds4

About 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine (PubChem CID 144999653) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine
PubChem CID144999653
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine
SMILESCc1nc(C2(Nc3cc(-c4n[nH]c5c4CCC(C)(C)C5)cc(F)n3)CCCC2)no1
InChIInChI=1S/C22H27FN6O/c1-13-24-20(29-30-13)22(7-4-5-8-22)26-18-11-14(10-17(23)25-18)19-15-6-9-21(2,3)12-16(15)27-28-19/h10-11H,4-9,12H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyPLGOVGZNMAARJA-UHFFFAOYSA-N
XLogP4.70
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine?
The IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine (CID 144999653) is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine.
What is the SMILES notation for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine?
The canonical SMILES for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine is Cc1nc(C2(Nc3cc(-c4n[nH]c5c4CCC(C)(C)C5)cc(F)n3)CCCC2)no1.
What is the InChIKey of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine?
The InChIKey is PLGOVGZNMAARJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-13-24-20(29-30-13)22(7-4-5-8-22)26-18-11-14(10-17(23)25-18)19-15-6-9-21(2,3)12-16(15)27-28-19/h10-11H,4-9,12H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine?
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine has a molecular weight of 410.50 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine is sourced from PubChem (CID 144999653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).