N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine

C22H24F3N5 — CID 164918483

IUPACN-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(C(F)F)c2F)c2cc(C3CCNCC3)c(C)nc2n1
InChIInChI=1S/C22H24F3N5/c1-12-17(14-6-8-26-9-7-14)10-18-21(29-13(2)30-22(18)28-12)27-11-15-4-3-5-16(19(15)23)20(24)25/h3-5,10,14,20,26H,6-9,11H2,1-2H3,(H,27,28,29,30)
InChIKeySZGANDJGFAJABB-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.80
Rot. Bonds5

About N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine

N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 164918483) has the molecular formula C22H24F3N5 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID164918483
Molecular FormulaC22H24F3N5
Molecular Weight415.46 g/mol
Exact Mass415.20
IUPAC NameN-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(C(F)F)c2F)c2cc(C3CCNCC3)c(C)nc2n1
InChIInChI=1S/C22H24F3N5/c1-12-17(14-6-8-26-9-7-14)10-18-21(29-13(2)30-22(18)28-12)27-11-15-4-3-5-16(19(15)23)20(24)25/h3-5,10,14,20,26H,6-9,11H2,1-2H3,(H,27,28,29,30)
InChIKeySZGANDJGFAJABB-UHFFFAOYSA-N
XLogP4.80
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine (CID 164918483) is N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2cccc(C(F)F)c2F)c2cc(C3CCNCC3)c(C)nc2n1.
What is the InChIKey of N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SZGANDJGFAJABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5/c1-12-17(14-6-8-26-9-7-14)10-18-21(29-13(2)30-22(18)28-12)27-11-15-4-3-5-16(19(15)23)20(24)25/h3-5,10,14,20,26H,6-9,11H2,1-2H3,(H,27,28,29,30).
What are the key properties of N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 415.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-2,7-dimethyl-6-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164918483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).