6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

C27H36ClFN4O2 — CID 58127137

IUPAC6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFc1ccc(-c2cc(CC3CCC(NCC4CCO4)CC3)ncc2Cl)nc1NCC1CCOCC1
InChIInChI=1S/C27H36ClFN4O2/c28-24-17-31-21(13-18-1-3-20(4-2-18)30-16-22-9-12-35-22)14-23(24)26-6-5-25(29)27(33-26)32-15-19-7-10-34-11-8-19/h5-6,14,17-20,22,30H,1-4,7-13,15-16H2,(H,32,33)
InChIKeyVVQJIIACVFPLKR-UHFFFAOYSA-N
MW503.06 g/mol
LogP5.25
Rot. Bonds9

About 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 58127137) has the molecular formula C27H36ClFN4O2 and a molecular weight of 503.06 g/mol. Its IUPAC name is 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID58127137
Molecular FormulaC27H36ClFN4O2
Molecular Weight503.06 g/mol
Exact Mass502.25
IUPAC Name6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFc1ccc(-c2cc(CC3CCC(NCC4CCO4)CC3)ncc2Cl)nc1NCC1CCOCC1
InChIInChI=1S/C27H36ClFN4O2/c28-24-17-31-21(13-18-1-3-20(4-2-18)30-16-22-9-12-35-22)14-23(24)26-6-5-25(29)27(33-26)32-15-19-7-10-34-11-8-19/h5-6,14,17-20,22,30H,1-4,7-13,15-16H2,(H,32,33)
InChIKeyVVQJIIACVFPLKR-UHFFFAOYSA-N
XLogP5.25
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.06
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[5-chloro-2-[4-[4-[(1,1-dioxothian-4-yl)methylamino]cyclohexyl]pentyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 123494875
(2R)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 58127082
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
4-[[[6-[5-chloro-2-[[4-(2-methoxyethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 58127437
methyl N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]carbamate
CID 58127183
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-2-pyridinyl]amino]methyl]oxane-4-carbonitrile;methane
CID 161080184
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3,5-dichloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127135
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
CID 162043335
5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127178
N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
CID 75596536
(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
CID 123829402
6-[5-chloro-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127168

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 58127137) is 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is Fc1ccc(-c2cc(CC3CCC(NCC4CCO4)CC3)ncc2Cl)nc1NCC1CCOCC1.
What is the InChIKey of 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is VVQJIIACVFPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClFN4O2/c28-24-17-31-21(13-18-1-3-20(4-2-18)30-16-22-9-12-35-22)14-23(24)26-6-5-25(29)27(33-26)32-15-19-7-10-34-11-8-19/h5-6,14,17-20,22,30H,1-4,7-13,15-16H2,(H,32,33).
What are the key properties of 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 503.06 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 58127137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).