tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate

C34H41FN8O3 — CID 71017036

IUPACtert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate
SMILESCc1cc(CN2CCC(F)(C(=O)N3CCC(n4c(-c5ccccn5)nc5cccnc54)CC3)CC2)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C34H41FN8O3/c1-23-20-24(21-28(38-23)40-32(45)46-33(2,3)4)22-41-18-12-34(35,13-19-41)31(44)42-16-10-25(11-17-42)43-29-27(9-7-15-37-29)39-30(43)26-8-5-6-14-36-26/h5-9,14-15,20-21,25H,10-13,16-19,22H2,1-4H3,(H,38,40,45)
InChIKeyWLKHZPYDBDPGBJ-UHFFFAOYSA-N
MW628.75 g/mol
LogP5.71
Rot. Bonds6

About tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate

tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate (PubChem CID 71017036) has the molecular formula C34H41FN8O3 and a molecular weight of 628.75 g/mol. Its IUPAC name is tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate
PubChem CID71017036
Molecular FormulaC34H41FN8O3
Molecular Weight628.75 g/mol
Exact Mass628.33
IUPAC Nametert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate
SMILESCc1cc(CN2CCC(F)(C(=O)N3CCC(n4c(-c5ccccn5)nc5cccnc54)CC3)CC2)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C34H41FN8O3/c1-23-20-24(21-28(38-23)40-32(45)46-33(2,3)4)22-41-18-12-34(35,13-19-41)31(44)42-16-10-25(11-17-42)43-29-27(9-7-15-37-29)39-30(43)26-8-5-6-14-36-26/h5-9,14-15,20-21,25H,10-13,16-19,22H2,1-4H3,(H,38,40,45)
InChIKeyWLKHZPYDBDPGBJ-UHFFFAOYSA-N
XLogP5.71
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.75
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate (CID 71017036) is tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate is Cc1cc(CN2CCC(F)(C(=O)N3CCC(n4c(-c5ccccn5)nc5cccnc54)CC3)CC2)cc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate?
The InChIKey is WLKHZPYDBDPGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41FN8O3/c1-23-20-24(21-28(38-23)40-32(45)46-33(2,3)4)22-41-18-12-34(35,13-19-41)31(44)42-16-10-25(11-17-42)43-29-27(9-7-15-37-29)39-30(43)26-8-5-6-14-36-26/h5-9,14-15,20-21,25H,10-13,16-19,22H2,1-4H3,(H,38,40,45).
What are the key properties of tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate?
tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate has a molecular weight of 628.75 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 71017036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).