5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C26H30F3N7O2 — CID 59507592

IUPAC5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1CCC(Oc2cncc(-c3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)c2)C1
InChIInChI=1S/C26H30F3N7O2/c1-16(2)36-4-3-18(15-36)38-19-9-17(12-31-13-19)22-11-23(34-25(33-22)35-5-7-37-8-6-35)20-14-32-24(30)10-21(20)26(27,28)29/h9-14,16,18H,3-8,15H2,1-2H3,(H2,30,32)
InChIKeySEUAINAVVWKDDG-UHFFFAOYSA-N
MW529.57 g/mol
LogP3.90
Rot. Bonds6

About 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507592) has the molecular formula C26H30F3N7O2 and a molecular weight of 529.57 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507592
Molecular FormulaC26H30F3N7O2
Molecular Weight529.57 g/mol
Exact Mass529.24
IUPAC Name5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1CCC(Oc2cncc(-c3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)c2)C1
InChIInChI=1S/C26H30F3N7O2/c1-16(2)36-4-3-18(15-36)38-19-9-17(12-31-13-19)22-11-23(34-25(33-22)35-5-7-37-8-6-35)20-14-32-24(30)10-21(20)26(27,28)29/h9-14,16,18H,3-8,15H2,1-2H3,(H2,30,32)
InChIKeySEUAINAVVWKDDG-UHFFFAOYSA-N
XLogP3.90
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507592) is 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)N1CCC(Oc2cncc(-c3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)c2)C1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SEUAINAVVWKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N7O2/c1-16(2)36-4-3-18(15-36)38-19-9-17(12-31-13-19)22-11-23(34-25(33-22)35-5-7-37-8-6-35)20-14-32-24(30)10-21(20)26(27,28)29/h9-14,16,18H,3-8,15H2,1-2H3,(H2,30,32).
What are the key properties of 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 529.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).