2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine

C24H26F3N7O — CID 157044354

IUPAC2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine
SMILESCc1cnc2c(C3CC4(C(F)(F)F)CC3C4)nc(N3CCOC(c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C24H26F3N7O/c1-13-9-28-20-19(17-8-23(24(25,26)27)6-14(17)7-23)31-22(32-21(20)30-13)33-4-5-35-18(12-33)15-10-29-34(11-15)16-2-3-16/h9-11,14,16-18H,2-8,12H2,1H3
InChIKeyCIBLCEPCTFOIJI-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.28
Rot. Bonds4

About 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine

2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine (PubChem CID 157044354) has the molecular formula C24H26F3N7O and a molecular weight of 485.51 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine.

Molecular Properties

Compound Name2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine
PubChem CID157044354
Molecular FormulaC24H26F3N7O
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC Name2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine
SMILESCc1cnc2c(C3CC4(C(F)(F)F)CC3C4)nc(N3CCOC(c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C24H26F3N7O/c1-13-9-28-20-19(17-8-23(24(25,26)27)6-14(17)7-23)31-22(32-21(20)30-13)33-4-5-35-18(12-33)15-10-29-34(11-15)16-2-3-16/h9-11,14,16-18H,2-8,12H2,1H3
InChIKeyCIBLCEPCTFOIJI-UHFFFAOYSA-N
XLogP4.28
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine?
The IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine (CID 157044354) is 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine.
What is the SMILES notation for 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine?
The canonical SMILES for 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine is Cc1cnc2c(C3CC4(C(F)(F)F)CC3C4)nc(N3CCOC(c4cnn(C5CC5)c4)C3)nc2n1.
What is the InChIKey of 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine?
The InChIKey is CIBLCEPCTFOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O/c1-13-9-28-20-19(17-8-23(24(25,26)27)6-14(17)7-23)31-22(32-21(20)30-13)33-4-5-35-18(12-33)15-10-29-34(11-15)16-2-3-16/h9-11,14,16-18H,2-8,12H2,1H3.
What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine?
2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine has a molecular weight of 485.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine is sourced from PubChem (CID 157044354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).