N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine

C23H29F2N5OS — CID 134293581

IUPACN-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine
SMILESCOC1CN(c2cc(C3CCN(C4CSC4)CC3)cc(Nc3cc(C(F)F)ccn3)n2)C1
InChIInChI=1S/C23H29F2N5OS/c1-31-19-11-30(12-19)22-10-17(15-3-6-29(7-4-15)18-13-32-14-18)9-21(28-22)27-20-8-16(23(24)25)2-5-26-20/h2,5,8-10,15,18-19,23H,3-4,6-7,11-14H2,1H3,(H,26,27,28)
InChIKeyTYCVERXGHCXKGC-UHFFFAOYSA-N
MW461.58 g/mol
LogP4.29
Rot. Bonds7

About N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine

N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine (PubChem CID 134293581) has the molecular formula C23H29F2N5OS and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine
PubChem CID134293581
Molecular FormulaC23H29F2N5OS
Molecular Weight461.58 g/mol
Exact Mass461.21
IUPAC NameN-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine
SMILESCOC1CN(c2cc(C3CCN(C4CSC4)CC3)cc(Nc3cc(C(F)F)ccn3)n2)C1
InChIInChI=1S/C23H29F2N5OS/c1-31-19-11-30(12-19)22-10-17(15-3-6-29(7-4-15)18-13-32-14-18)9-21(28-22)27-20-8-16(23(24)25)2-5-26-20/h2,5,8-10,15,18-19,23H,3-4,6-7,11-14H2,1H3,(H,26,27,28)
InChIKeyTYCVERXGHCXKGC-UHFFFAOYSA-N
XLogP4.29
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 90067480
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
CID 72550271
6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
CID 134293567
1-[3-[2-chloro-6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 134293641
2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 90067590
2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine
CID 90067642
4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 162747716
N-[4-(1,1-difluoroethyl)-2-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)azetidin-3-yl]pyridin-2-amine
CID 163555024
2-[[6-cyclobutyloxy-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725473
6-(2-azabicyclo[3.1.0]hexan-2-yl)-N-(4-methyl-2-pyridinyl)-4-(oxan-4-yl)pyridin-2-amine
CID 90015475
(Z)-1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]octadec-9-en-1-one
CID 126706050

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine (CID 134293581) is N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine is COC1CN(c2cc(C3CCN(C4CSC4)CC3)cc(Nc3cc(C(F)F)ccn3)n2)C1.
What is the InChIKey of N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is TYCVERXGHCXKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N5OS/c1-31-19-11-30(12-19)22-10-17(15-3-6-29(7-4-15)18-13-32-14-18)9-21(28-22)27-20-8-16(23(24)25)2-5-26-20/h2,5,8-10,15,18-19,23H,3-4,6-7,11-14H2,1H3,(H,26,27,28).
What are the key properties of N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine?
N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 461.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 134293581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).