N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine

C22H24F3N5 — CID 166827952

IUPACN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1C=C(C1=CCCNC1)CN2C)c1cccc(C(F)F)c1F
InChIInChI=1S/C22H24F3N5/c1-13(16-6-3-7-17(19(16)23)20(24)25)29-21-18-9-15(14-5-4-8-26-10-14)11-30(2)22(18)28-12-27-21/h3,5-7,9,12-13,20,26H,4,8,10-11H2,1-2H3,(H,27,28,29)/t13-/m1/s1
InChIKeyNMWUNEZGUIOSFF-CYBMUJFWSA-N
MW415.46 g/mol
LogP4.48
Rot. Bonds5

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 166827952) has the molecular formula C22H24F3N5 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine
PubChem CID166827952
Molecular FormulaC22H24F3N5
Molecular Weight415.46 g/mol
Exact Mass415.20
IUPAC NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1C=C(C1=CCCNC1)CN2C)c1cccc(C(F)F)c1F
InChIInChI=1S/C22H24F3N5/c1-13(16-6-3-7-17(19(16)23)20(24)25)29-21-18-9-15(14-5-4-8-26-10-14)11-30(2)22(18)28-12-27-21/h3,5-7,9,12-13,20,26H,4,8,10-11H2,1-2H3,(H,27,28,29)/t13-/m1/s1
InChIKeyNMWUNEZGUIOSFF-CYBMUJFWSA-N
XLogP4.48
TPSA53.08 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 ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine (CID 166827952) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2c1C=C(C1=CCCNC1)CN2C)c1cccc(C(F)F)c1F.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is NMWUNEZGUIOSFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24F3N5/c1-13(16-6-3-7-17(19(16)23)20(24)25)29-21-18-9-15(14-5-4-8-26-10-14)11-30(2)22(18)28-12-27-21/h3,5-7,9,12-13,20,26H,4,8,10-11H2,1-2H3,(H,27,28,29)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 415.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)-7H-pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166827952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).