1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine

C24H25F2N7O — CID 157044437

IUPAC1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(N3CCO[C@H](C)C3)nc2n1.c1cnn(C2CC2)c1
InChIInChI=1S/C18H17F2N5O.C6H8N2/c1-10-8-21-16-15(13-4-3-12(19)7-14(13)20)23-18(24-17(16)22-10)25-5-6-26-11(2)9-25;1-4-7-8(5-1)6-2-3-6/h3-4,7-8,11H,5-6,9H2,1-2H3;1,4-6H,2-3H2/t11-;/m1./s1
InChIKeyBVUYUZVJZAQKPV-RFVHGSKJSA-N
MW465.51 g/mol
LogP4.12
Rot. Bonds3

About 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine

1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine (PubChem CID 157044437) has the molecular formula C24H25F2N7O and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine.

Molecular Properties

Compound Name1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
PubChem CID157044437
Molecular FormulaC24H25F2N7O
Molecular Weight465.51 g/mol
Exact Mass465.21
IUPAC Name1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(N3CCO[C@H](C)C3)nc2n1.c1cnn(C2CC2)c1
InChIInChI=1S/C18H17F2N5O.C6H8N2/c1-10-8-21-16-15(13-4-3-12(19)7-14(13)20)23-18(24-17(16)22-10)25-5-6-26-11(2)9-25;1-4-7-8(5-1)6-2-3-6/h3-4,7-8,11H,5-6,9H2,1-2H3;1,4-6H,2-3H2/t11-;/m1./s1
InChIKeyBVUYUZVJZAQKPV-RFVHGSKJSA-N
XLogP4.12
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine?
The IUPAC name of 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine (CID 157044437) is 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine.
What is the SMILES notation for 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine?
The canonical SMILES for 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine is Cc1cnc2c(-c3ccc(F)cc3F)nc(N3CCO[C@H](C)C3)nc2n1.c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine?
The InChIKey is BVUYUZVJZAQKPV-RFVHGSKJSA-N. The full InChI is InChI=1S/C18H17F2N5O.C6H8N2/c1-10-8-21-16-15(13-4-3-12(19)7-14(13)20)23-18(24-17(16)22-10)25-5-6-26-11(2)9-25;1-4-7-8(5-1)6-2-3-6/h3-4,7-8,11H,5-6,9H2,1-2H3;1,4-6H,2-3H2/t11-;/m1./s1.
What are the key properties of 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine?
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine has a molecular weight of 465.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine is sourced from PubChem (CID 157044437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).