tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine

C60H92N16O4 — CID 159443636

IUPACtert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESC.COC1(CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C32H48N8O3.C27H40N8O.CH4/c1-23(2)40-24(3)35-27-22-34-26(21-28(27)40)20-25-8-12-33-29(36-25)38-14-10-32(42-7,11-15-38)9-13-37-16-18-39(19-17-37)30(41)43-31(4,5)6;1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33;/h8,12,21-23H,9-11,13-20H2,1-7H3;5,9,18-20,28H,6-8,10-17H2,1-4H3;1H4
InChIKeyLSMGKGFKKOCFFL-UHFFFAOYSA-N
MW1101.50 g/mol
LogP8.25
Rot. Bonds16

About tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine

tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 159443636) has the molecular formula C60H92N16O4 and a molecular weight of 1101.50 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID159443636
Molecular FormulaC60H92N16O4
Molecular Weight1101.50 g/mol
Exact Mass1100.75
IUPAC Nametert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESC.COC1(CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C32H48N8O3.C27H40N8O.CH4/c1-23(2)40-24(3)35-27-22-34-26(21-28(27)40)20-25-8-12-33-29(36-25)38-14-10-32(42-7,11-15-38)9-13-37-16-18-39(19-17-37)30(41)43-31(4,5)6;1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33;/h8,12,21-23H,9-11,13-20H2,1-7H3;5,9,18-20,28H,6-8,10-17H2,1-4H3;1H4
InChIKeyLSMGKGFKKOCFFL-UHFFFAOYSA-N
XLogP8.25
TPSA185.97 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.50
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-{2-[4-(2-Aminoethyl)-4-Methoxypiperidin-1-Yl]pyrimidin-4-Yl}-2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90183483
ethyl 4-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate
CID 44431998
N-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183635
US11111247, Example 11
CID 146478680
1-[4-[8-Anilino-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 162356165
tert-butyl (3S)-3-[8-anilino-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]pyrrolidine-1-carboxylate
CID 162652471
methyl 4-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 50996410
methyl (3S)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 58177242
methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 58177387
tert-butyl 4-[5-[6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155558588
tert-butyl 4-[5-[6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-9-pentan-3-ylpurin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155562186
tert-butyl N-[(3R)-3-[8-(4-fluoroanilino)-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]cyclohexyl]carbamate
CID 162650789

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (CID 159443636) is tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is C.COC1(CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is LSMGKGFKKOCFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N8O3.C27H40N8O.CH4/c1-23(2)40-24(3)35-27-22-34-26(21-28(27)40)20-25-8-12-33-29(36-25)38-14-10-32(42-7,11-15-38)9-13-37-16-18-39(19-17-37)30(41)43-31(4,5)6;1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33;/h8,12,21-23H,9-11,13-20H2,1-7H3;5,9,18-20,28H,6-8,10-17H2,1-4H3;1H4.
What are the key properties of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 1101.50 g/mol, XLogP of 8.25, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;methane;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 159443636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).