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

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

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine (PubChem CID 145000474) has the molecular formula C23H25F2N5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name	4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine
PubChem CID	145000474
Molecular Formula	C23H25F2N5
Molecular Weight	409.48 g/mol
Exact Mass	409.21
IUPAC Name	4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine
SMILES	CC1(C)CCc2c(-c3cc(F)nc(NCC4(c5ncccc5F)CC4)c3)n[nH]c2C1
InChI	InChI=1S/C23H25F2N5/c1-22(2)6-5-15-17(12-22)29-30-20(15)14-10-18(25)28-19(11-14)27-13-23(7-8-23)21-16(24)4-3-9-26-21/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,27,28)(H,29,30)
InChIKey	NSYWHYVHIVJWHY-UHFFFAOYSA-N
XLogP	4.80
TPSA	66.49 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.48
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine?

The IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine (CID 145000474) is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine.

What is the SMILES notation for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine?

The canonical SMILES for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine is CC1(C)CCc2c(-c3cc(F)nc(NCC4(c5ncccc5F)CC4)c3)n[nH]c2C1.

What is the InChIKey of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine?

The InChIKey is NSYWHYVHIVJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5/c1-22(2)6-5-15-17(12-22)29-30-20(15)14-10-18(25)28-19(11-14)27-13-23(7-8-23)21-16(24)4-3-9-26-21/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,27,28)(H,29,30).

What are the key properties of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine?

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine has a molecular weight of 409.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine is sourced from PubChem (CID 145000474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).