2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine

C23H29F3N6O — CID 90067642

IUPAC2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC[C@@H]3C(F)(F)F)n2)c1
InChIInChI=1S/C23H29F3N6O/c24-23(25,26)19-2-1-7-32(19)22-11-16(15-4-8-31(9-5-15)18-13-33-14-18)10-21(30-22)29-20-12-17(27)3-6-28-20/h3,6,10-12,15,18-19H,1-2,4-5,7-9,13-14H2,(H3,27,28,29,30)/t19-/m1/s1
InChIKeySKRVJFFJMLHHLJ-LJQANCHMSA-N
MW462.52 g/mol
LogP3.91
Rot. Bonds5

About 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine

2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine (PubChem CID 90067642) has the molecular formula C23H29F3N6O and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine
PubChem CID90067642
Molecular FormulaC23H29F3N6O
Molecular Weight462.52 g/mol
Exact Mass462.24
IUPAC Name2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC[C@@H]3C(F)(F)F)n2)c1
InChIInChI=1S/C23H29F3N6O/c24-23(25,26)19-2-1-7-32(19)22-11-16(15-4-8-31(9-5-15)18-13-33-14-18)10-21(30-22)29-20-12-17(27)3-6-28-20/h3,6,10-12,15,18-19H,1-2,4-5,7-9,13-14H2,(H3,27,28,29,30)/t19-/m1/s1
InChIKeySKRVJFFJMLHHLJ-LJQANCHMSA-N
XLogP3.91
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine with MolForge

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Related Compounds

4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 90067480
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-[[6-cyclobutyloxy-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725473
4-[1-(2-fluoroethyl)piperidin-4-yl]-6-[(2R)-2-methylpyrrolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90032623
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
6-(2-azabicyclo[3.1.0]hexan-2-yl)-N-(4-methyl-2-pyridinyl)-4-(oxan-4-yl)pyridin-2-amine
CID 90015475
N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 134293581
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine
CID 90015405
2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile
CID 122368046
4-[(3S)-3-[2-chloro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146215169
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 162747716

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine?
The IUPAC name of 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) is 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine is Nc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC[C@@H]3C(F)(F)F)n2)c1.
What is the InChIKey of 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine?
The InChIKey is SKRVJFFJMLHHLJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29F3N6O/c24-23(25,26)19-2-1-7-32(19)22-11-16(15-4-8-31(9-5-15)18-13-33-14-18)10-21(30-22)29-20-12-17(27)3-6-28-20/h3,6,10-12,15,18-19H,1-2,4-5,7-9,13-14H2,(H3,27,28,29,30)/t19-/m1/s1.
What are the key properties of 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine?
2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine has a molecular weight of 462.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine is sourced from PubChem (CID 90067642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).