[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C24H26N10O2 — CID 46202140

IUPAC[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)c3cccnc3)CC2)cn1
InChIInChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)20-19-15-29-34(21(19)31-24(30-20)33-8-10-36-11-9-33)18-3-6-32(7-4-18)22(35)16-2-1-5-26-12-16/h1-2,5,12-15,18H,3-4,6-11H2,(H2,25,27,28)
InChIKeyDCGAFSMHKDMDIO-UHFFFAOYSA-N
MW486.54 g/mol
LogP1.57
Rot. Bonds4

About [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 46202140) has the molecular formula C24H26N10O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID46202140
Molecular FormulaC24H26N10O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)c3cccnc3)CC2)cn1
InChIInChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)20-19-15-29-34(21(19)31-24(30-20)33-8-10-36-11-9-33)18-3-6-32(7-4-18)22(35)16-2-1-5-26-12-16/h1-2,5,12-15,18H,3-4,6-11H2,(H2,25,27,28)
InChIKeyDCGAFSMHKDMDIO-UHFFFAOYSA-N
XLogP1.57
TPSA141.07 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis([4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone);5-(6-morpholin-4-yl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine;pyridine-3-carboxylic acid;hydrochloride
CID 159616793
[4-[6-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 69269663
benzyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 58514323
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 67004771
4-(2-aminopyrimidin-5-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 70827824
methyl N-[4-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate;hydrochloride
CID 46202466
N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide
CID 88890614
2-amino-1-[4-[4-(2-amino-1,3-thiazol-4-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
CID 46206013
[4-[1-(1-benzoylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865060
5-[6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 90993056
2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 58285342
[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 59244613

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 46202140) is [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)c3cccnc3)CC2)cn1.
What is the InChIKey of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is DCGAFSMHKDMDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)20-19-15-29-34(21(19)31-24(30-20)33-8-10-36-11-9-33)18-3-6-32(7-4-18)22(35)16-2-1-5-26-12-16/h1-2,5,12-15,18H,3-4,6-11H2,(H2,25,27,28).
What are the key properties of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 486.54 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 46202140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).