4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C24H26F3N7O — CID 59807390

IUPAC4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)CN1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)CC1
InChIInChI=1S/C24H26F3N7O/c25-24(26,27)15-32-7-4-18(5-8-32)34-23-19(14-29-34)22(33-9-11-35-12-10-33)30-21(31-23)17-1-2-20-16(13-17)3-6-28-20/h1-3,6,13-14,18,28H,4-5,7-12,15H2
InChIKeyFWBFWFJQOVCKRL-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.01
Rot. Bonds4

About 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 59807390) has the molecular formula C24H26F3N7O and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID59807390
Molecular FormulaC24H26F3N7O
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC Name4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)CN1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)CC1
InChIInChI=1S/C24H26F3N7O/c25-24(26,27)15-32-7-4-18(5-8-32)34-23-19(14-29-34)22(33-9-11-35-12-10-33)30-21(31-23)17-1-2-20-16(13-17)3-6-28-20/h1-3,6,13-14,18,28H,4-5,7-12,15H2
InChIKeyFWBFWFJQOVCKRL-UHFFFAOYSA-N
XLogP4.01
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one
CID 154329504
3-[[4-(4-morpholin-4-yl-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenol
CID 141218936
4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 44550134
2-[4-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethyl formate
CID 174589664
[4-[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 68866313
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-2-fluorophenyl]-3-methylurea
CID 68865478
[4-[4-morpholin-4-yl-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 87647347
4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide
CID 154330418
[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
CID 68866380
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-ethoxyurea
CID 25196220
methyl N-[4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate
CID 91317445

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 59807390) is 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is FC(F)(F)CN1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)CC1.
What is the InChIKey of 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is FWBFWFJQOVCKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O/c25-24(26,27)15-32-7-4-18(5-8-32)34-23-19(14-29-34)22(33-9-11-35-12-10-33)30-21(31-23)17-1-2-20-16(13-17)3-6-28-20/h1-3,6,13-14,18,28H,4-5,7-12,15H2.
What are the key properties of 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 485.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59807390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).