1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione

C26H33N9O2 — CID 170242900

IUPAC1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
SMILESCc1cnc(N2CCC(CN3CCC(n4ncc5c(N6CCC(=O)NC6=O)cncc54)CC3)CC2)nc1
InChIInChI=1S/C26H33N9O2/c1-18-12-28-25(29-13-18)33-9-2-19(3-10-33)17-32-7-4-20(5-8-32)35-23-16-27-15-22(21(23)14-30-35)34-11-6-24(36)31-26(34)37/h12-16,19-20H,2-11,17H2,1H3,(H,31,36,37)
InChIKeyUOYKGFUEGGWHJP-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.53
Rot. Bonds5

About 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione

1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 170242900) has the molecular formula C26H33N9O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
PubChem CID170242900
Molecular FormulaC26H33N9O2
Molecular Weight503.61 g/mol
Exact Mass503.28
IUPAC Name1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
SMILESCc1cnc(N2CCC(CN3CCC(n4ncc5c(N6CCC(=O)NC6=O)cncc54)CC3)CC2)nc1
InChIInChI=1S/C26H33N9O2/c1-18-12-28-25(29-13-18)33-9-2-19(3-10-33)17-32-7-4-20(5-8-32)35-23-16-27-15-22(21(23)14-30-35)34-11-6-24(36)31-26(34)37/h12-16,19-20H,2-11,17H2,1H3,(H,31,36,37)
InChIKeyUOYKGFUEGGWHJP-UHFFFAOYSA-N
XLogP2.53
TPSA112.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
CID 169195244
1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
CID 170241895
N-[3-[(5-chloro-6-cyano-3-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyrimidine-2-carboxamide
CID 169195551
3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione
CID 169195348
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 171429388
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 176801264
1-[5-(2,4-dioxo-1,3-diazinan-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 170163995
tert-butyl 4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 169195490
4-(3-chloro-4-cyanophenyl)-N-[2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-methylpiperazine-1-carboxamide
CID 170242818
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 169195351
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
CID 177065367
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 169195442

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione (CID 170242900) is 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione is Cc1cnc(N2CCC(CN3CCC(n4ncc5c(N6CCC(=O)NC6=O)cncc54)CC3)CC2)nc1.
What is the InChIKey of 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is UOYKGFUEGGWHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O2/c1-18-12-28-25(29-13-18)33-9-2-19(3-10-33)17-32-7-4-20(5-8-32)35-23-16-27-15-22(21(23)14-30-35)34-11-6-24(36)31-26(34)37/h12-16,19-20H,2-11,17H2,1H3,(H,31,36,37).
What are the key properties of 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 503.61 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazolo[3,4-c]pyridin-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170242900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).