4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine

C22H26N8 — CID 126910867

IUPAC4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)c2ccncc2n1
InChIInChI=1S/C22H26N8/c1-14-24-17-13-23-10-7-16(17)21(25-14)29-11-8-15(9-12-29)20-27-26-19-6-5-18(22(2,3)4)28-30(19)20/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyRYMJMGVCKUMTAG-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.45
Rot. Bonds2

About 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine

4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine (PubChem CID 126910867) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
PubChem CID126910867
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)c2ccncc2n1
InChIInChI=1S/C22H26N8/c1-14-24-17-13-23-10-7-16(17)21(25-14)29-11-8-15(9-12-29)20-27-26-19-6-5-18(22(2,3)4)28-30(19)20/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyRYMJMGVCKUMTAG-UHFFFAOYSA-N
XLogP3.45
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline
CID 126910588
6-tert-butyl-3-(1-pyrazin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910534
6-tert-butyl-3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910547
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126911822
2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163356963
6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928071
6-tert-butyl-3-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910669
6-tert-butyl-3-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910564
4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126910785
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154853548
5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 126910795
[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126910484

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine (CID 126910867) is 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine is Cc1nc(N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)c2ccncc2n1.
What is the InChIKey of 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The InChIKey is RYMJMGVCKUMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8/c1-14-24-17-13-23-10-7-16(17)21(25-14)29-11-8-15(9-12-29)20-27-26-19-6-5-18(22(2,3)4)28-30(19)20/h5-7,10,13,15H,8-9,11-12H2,1-4H3.
What are the key properties of 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine has a molecular weight of 402.51 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 126910867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).