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

C27H32F3N7O2 — CID 59507830

IUPAC5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-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)CC1
InChIInChI=1S/C27H32F3N7O2/c1-17(2)36-5-3-19(4-6-36)39-20-11-18(14-32-15-20)23-13-24(35-26(34-23)37-7-9-38-10-8-37)21-16-33-25(31)12-22(21)27(28,29)30/h11-17,19H,3-10H2,1-2H3,(H2,31,33)
InChIKeyDZTCZWONLSIWAM-UHFFFAOYSA-N
MW543.59 g/mol
LogP4.29
Rot. Bonds6

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

5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507830) has the molecular formula C27H32F3N7O2 and a molecular weight of 543.59 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-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-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507830
Molecular FormulaC27H32F3N7O2
Molecular Weight543.59 g/mol
Exact Mass543.26
IUPAC Name5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-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)CC1
InChIInChI=1S/C27H32F3N7O2/c1-17(2)36-5-3-19(4-6-36)39-20-11-18(14-32-15-20)23-13-24(35-26(34-23)37-7-9-38-10-8-37)21-16-33-25(31)12-22(21)27(28,29)30/h11-17,19H,3-10H2,1-2H3,(H2,31,33)
InChIKeyDZTCZWONLSIWAM-UHFFFAOYSA-N
XLogP4.29
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.59
LogP ≤ 54.29
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-ylpiperidin-4-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-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507830) is 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-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-ylpiperidin-4-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-ylpiperidin-4-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)CC1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DZTCZWONLSIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N7O2/c1-17(2)36-5-3-19(4-6-36)39-20-11-18(14-32-15-20)23-13-24(35-26(34-23)37-7-9-38-10-8-37)21-16-33-25(31)12-22(21)27(28,29)30/h11-17,19H,3-10H2,1-2H3,(H2,31,33).
What are the key properties of 5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 543.59 g/mol, XLogP of 4.29, 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-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).