(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol

C21H29N5O5 — CID 172729356

IUPAC(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.COc1ccc(CN(C(=O)O)c2nc(N)cc3c2ncn3C)c(OC)c1
InChIInChI=1S/C17H19N5O4.C4H10O/c1-21-9-19-15-12(21)7-14(18)20-16(15)22(17(23)24)8-10-4-5-11(25-2)6-13(10)26-3;1-4(2,3)5/h4-7,9H,8H2,1-3H3,(H2,18,20)(H,23,24);5H,1-3H3
InChIKeyHOVDQUGGJRQNMD-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.03
Rot. Bonds5

About (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol

(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol (PubChem CID 172729356) has the molecular formula C21H29N5O5 and a molecular weight of 431.49 g/mol. Its IUPAC name is (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol.

Molecular Properties

Compound Name(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol
PubChem CID172729356
Molecular FormulaC21H29N5O5
Molecular Weight431.49 g/mol
Exact Mass431.22
IUPAC Name(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.COc1ccc(CN(C(=O)O)c2nc(N)cc3c2ncn3C)c(OC)c1
InChIInChI=1S/C17H19N5O4.C4H10O/c1-21-9-19-15-12(21)7-14(18)20-16(15)22(17(23)24)8-10-4-5-11(25-2)6-13(10)26-3;1-4(2,3)5/h4-7,9H,8H2,1-3H3,(H2,18,20)(H,23,24);5H,1-3H3
InChIKeyHOVDQUGGJRQNMD-UHFFFAOYSA-N
XLogP3.03
TPSA135.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 126494683
tert-butyl N-[6-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 58180611
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 172603943
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
tert-butyl N-[(2,4-dimethoxyphenyl)methyl]-N-(5-formylpyridazin-3-yl)carbamate
CID 170412917
N-[(2,4-dimethoxyphenyl)methyl]-6-(2-ethyl-4,6-difluoroanilino)-1-methylimidazo[4,5-c]pyridine-4-carboxamide
CID 126485379
3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
CID 130407748
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954

Frequently Asked Questions

What is the IUPAC name of (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol?
The IUPAC name of (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol (CID 172729356) is (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol.
What is the SMILES notation for (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol?
The canonical SMILES for (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol is CC(C)(C)O.COc1ccc(CN(C(=O)O)c2nc(N)cc3c2ncn3C)c(OC)c1.
What is the InChIKey of (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol?
The InChIKey is HOVDQUGGJRQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4.C4H10O/c1-21-9-19-15-12(21)7-14(18)20-16(15)22(17(23)24)8-10-4-5-11(25-2)6-13(10)26-3;1-4(2,3)5/h4-7,9H,8H2,1-3H3,(H2,18,20)(H,23,24);5H,1-3H3.
What are the key properties of (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol?
(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol has a molecular weight of 431.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol is sourced from PubChem (CID 172729356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).