5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine

C24H45F2N5 — CID 145012085

IUPAC5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine
SMILESCC1CC(C2CCC(C(C)(C)F)CC2)N(C2NCNC(NCC3CCCNC3)C2F)C1
InChIInChI=1S/C24H45F2N5/c1-16-11-20(18-6-8-19(9-7-18)24(2,3)26)31(14-16)23-21(25)22(29-15-30-23)28-13-17-5-4-10-27-12-17/h16-23,27-30H,4-15H2,1-3H3
InChIKeyAQQOQSYQUWLCGO-UHFFFAOYSA-N
MW441.66 g/mol
LogP2.98
Rot. Bonds6

About 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine

5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine (PubChem CID 145012085) has the molecular formula C24H45F2N5 and a molecular weight of 441.66 g/mol. Its IUPAC name is 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine.

Molecular Properties

Compound Name5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine
PubChem CID145012085
Molecular FormulaC24H45F2N5
Molecular Weight441.66 g/mol
Exact Mass441.36
IUPAC Name5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine
SMILESCC1CC(C2CCC(C(C)(C)F)CC2)N(C2NCNC(NCC3CCCNC3)C2F)C1
InChIInChI=1S/C24H45F2N5/c1-16-11-20(18-6-8-19(9-7-18)24(2,3)26)31(14-16)23-21(25)22(29-15-30-23)28-13-17-5-4-10-27-12-17/h16-23,27-30H,4-15H2,1-3H3
InChIKeyAQQOQSYQUWLCGO-UHFFFAOYSA-N
XLogP2.98
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine?
The IUPAC name of 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine (CID 145012085) is 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine.
What is the SMILES notation for 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine?
The canonical SMILES for 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine is CC1CC(C2CCC(C(C)(C)F)CC2)N(C2NCNC(NCC3CCCNC3)C2F)C1.
What is the InChIKey of 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine?
The InChIKey is AQQOQSYQUWLCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45F2N5/c1-16-11-20(18-6-8-19(9-7-18)24(2,3)26)31(14-16)23-21(25)22(29-15-30-23)28-13-17-5-4-10-27-12-17/h16-23,27-30H,4-15H2,1-3H3.
What are the key properties of 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine?
5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine has a molecular weight of 441.66 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]-4-methylpyrrolidin-1-yl]-N-(piperidin-3-ylmethyl)-1,3-diazinan-4-amine is sourced from PubChem (CID 145012085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).