2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine

C26H34N10 — CID 170164343

IUPAC2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1cnc2c(NCc3cccnc3-c3ccc(N(C)C)nc3)nc(N3CCC(N)CC3)nn12
InChIInChI=1S/C26H34N10/c1-17(2)21-16-31-25-24(32-26(33-36(21)25)35-12-9-20(27)10-13-35)30-15-18-6-5-11-28-23(18)19-7-8-22(29-14-19)34(3)4/h5-8,11,14,16-17,20H,9-10,12-13,15,27H2,1-4H3,(H,30,32,33)
InChIKeyPBLFAPPLUCTEAN-UHFFFAOYSA-N
MW486.63 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine

2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 170164343) has the molecular formula C26H34N10 and a molecular weight of 486.63 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID170164343
Molecular FormulaC26H34N10
Molecular Weight486.63 g/mol
Exact Mass486.30
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1cnc2c(NCc3cccnc3-c3ccc(N(C)C)nc3)nc(N3CCC(N)CC3)nn12
InChIInChI=1S/C26H34N10/c1-17(2)21-16-31-25-24(32-26(33-36(21)25)35-12-9-20(27)10-13-35)30-15-18-6-5-11-28-23(18)19-7-8-22(29-14-19)34(3)4/h5-8,11,14,16-17,20H,9-10,12-13,15,27H2,1-4H3,(H,30,32,33)
InChIKeyPBLFAPPLUCTEAN-UHFFFAOYSA-N
XLogP3.31
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine (CID 170164343) is 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine is CC(C)c1cnc2c(NCc3cccnc3-c3ccc(N(C)C)nc3)nc(N3CCC(N)CC3)nn12.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PBLFAPPLUCTEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N10/c1-17(2)21-16-31-25-24(32-26(33-36(21)25)35-12-9-20(27)10-13-35)30-15-18-6-5-11-28-23(18)19-7-8-22(29-14-19)34(3)4/h5-8,11,14,16-17,20H,9-10,12-13,15,27H2,1-4H3,(H,30,32,33).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 486.63 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[[2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 170164343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).