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

C24H26N10O2 — CID 67004771

IUPAC[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3n[nH]c(C4CCN(C(=O)c5cccnc5)CC4)c23)cn1
InChIInChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)19-18-20(31-32-21(18)30-24(29-19)34-8-10-36-11-9-34)15-3-6-33(7-4-15)22(35)16-2-1-5-26-12-16/h1-2,5,12-15H,3-4,6-11H2,(H2,25,27,28)(H,29,30,31,32)
InChIKeyJUJHVAQSKSLHCV-UHFFFAOYSA-N
MW486.54 g/mol
LogP1.64
Rot. Bonds4

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

[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 67004771) 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-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID67004771
Molecular FormulaC24H26N10O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3n[nH]c(C4CCN(C(=O)c5cccnc5)CC4)c23)cn1
InChIInChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)19-18-20(31-32-21(18)30-24(29-19)34-8-10-36-11-9-34)15-3-6-33(7-4-15)22(35)16-2-1-5-26-12-16/h1-2,5,12-15H,3-4,6-11H2,(H2,25,27,28)(H,29,30,31,32)
InChIKeyJUJHVAQSKSLHCV-UHFFFAOYSA-N
XLogP1.64
TPSA151.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 46202140
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
7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine
CID 67458073
methyl N-[4-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate;hydrochloride
CID 67454515
2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821055
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide
CID 118638087
[5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 59244568
[4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 154728490
ethyl 4-[4-[4-(methylcarbamoylamino)phenyl]-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxylate
CID 67470085
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
[4-[6-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 69269663

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [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) is [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Nc1ncc(-c2nc(N3CCOCC3)nc3n[nH]c(C4CCN(C(=O)c5cccnc5)CC4)c23)cn1.
What is the InChIKey of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is JUJHVAQSKSLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O2/c25-23-27-13-17(14-28-23)19-18-20(31-32-21(18)30-24(29-19)34-8-10-36-11-9-34)15-3-6-33(7-4-15)22(35)16-2-1-5-26-12-16/h1-2,5,12-15H,3-4,6-11H2,(H2,25,27,28)(H,29,30,31,32).
What are the key properties of [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 486.54 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 67004771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).