4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine

C24H35F2N5O — CID 134279968

IUPAC4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine
SMILESC[C@@H]1CCCN1C1=CC(C2CCN(C3COC3)CC2)CC(Nc2cc(C(F)F)ccn2)N1
InChIInChI=1S/C24H35F2N5O/c1-16-3-2-8-31(16)23-13-19(17-5-9-30(10-6-17)20-14-32-15-20)12-22(29-23)28-21-11-18(24(25)26)4-7-27-21/h4,7,11,13,16-17,19-20,22,24,29H,2-3,5-6,8-10,12,14-15H2,1H3,(H,27,28)/t16-,19?,22?/m1/s1
InChIKeyWIAURTLWCAXTJU-IDMYKUQPSA-N
MW447.57 g/mol
LogP3.80
Rot. Bonds6

About 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine

4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine (PubChem CID 134279968) has the molecular formula C24H35F2N5O and a molecular weight of 447.57 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine
PubChem CID134279968
Molecular FormulaC24H35F2N5O
Molecular Weight447.57 g/mol
Exact Mass447.28
IUPAC Name4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine
SMILESC[C@@H]1CCCN1C1=CC(C2CCN(C3COC3)CC2)CC(Nc2cc(C(F)F)ccn2)N1
InChIInChI=1S/C24H35F2N5O/c1-16-3-2-8-31(16)23-13-19(17-5-9-30(10-6-17)20-14-32-15-20)12-22(29-23)28-21-11-18(24(25)26)4-7-27-21/h4,7,11,13,16-17,19-20,22,24,29H,2-3,5-6,8-10,12,14-15H2,1H3,(H,27,28)/t16-,19?,22?/m1/s1
InChIKeyWIAURTLWCAXTJU-IDMYKUQPSA-N
XLogP3.80
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine (CID 134279968) is 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine is C[C@@H]1CCCN1C1=CC(C2CCN(C3COC3)CC2)CC(Nc2cc(C(F)F)ccn2)N1.
What is the InChIKey of 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine?
The InChIKey is WIAURTLWCAXTJU-IDMYKUQPSA-N. The full InChI is InChI=1S/C24H35F2N5O/c1-16-3-2-8-31(16)23-13-19(17-5-9-30(10-6-17)20-14-32-15-20)12-22(29-23)28-21-11-18(24(25)26)4-7-27-21/h4,7,11,13,16-17,19-20,22,24,29H,2-3,5-6,8-10,12,14-15H2,1H3,(H,27,28)/t16-,19?,22?/m1/s1.
What are the key properties of 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine?
4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine has a molecular weight of 447.57 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 134279968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).