6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide

C25H30N6O3 — CID 168972272

IUPAC6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
SMILESCOC1CCN(c2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)CC1
InChIInChI=1S/C25H30N6O3/c1-25(2)13-16-12-19(22(29-24(16)34-25)31-10-8-18(33-4)9-11-31)23(32)28-21-7-5-6-20(27-21)17-14-26-30(3)15-17/h5-7,12,14-15,18H,8-11,13H2,1-4H3,(H,27,28,32)
InChIKeyTVMJTMYBAZMCMY-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.46
Rot. Bonds5

About 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide

6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide (PubChem CID 168972272) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
PubChem CID168972272
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
SMILESCOC1CCN(c2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)CC1
InChIInChI=1S/C25H30N6O3/c1-25(2)13-16-12-19(22(29-24(16)34-25)31-10-8-18(33-4)9-11-31)23(32)28-21-7-5-6-20(27-21)17-14-26-30(3)15-17/h5-7,12,14-15,18H,8-11,13H2,1-4H3,(H,27,28,32)
InChIKeyTVMJTMYBAZMCMY-UHFFFAOYSA-N
XLogP3.46
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,2-dimethyl-6-[2-(methylamino)ethoxy]-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
CID 168972153
5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972247
5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972050
3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
CID 175898469
5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972262
ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972167
5-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972137
4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126801451
5-(2,5-diazaspiro[3.4]octan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972168
N-[6-[1-[2-[[5-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamoyl]-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]ethoxymethyl]pyrazol-4-yl]-2-pyridinyl]-2-(2-hydroxyethylamino)-5-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972087
3-(4-fluorophenyl)-3-hydroxy-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxamide
CID 126798043
2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
CID 159186223

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide (CID 168972272) is 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide is COC1CCN(c2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)CC1.
What is the InChIKey of 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
The InChIKey is TVMJTMYBAZMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-25(2)13-16-12-19(22(29-24(16)34-25)31-10-8-18(33-4)9-11-31)23(32)28-21-7-5-6-20(27-21)17-14-26-30(3)15-17/h5-7,12,14-15,18H,8-11,13H2,1-4H3,(H,27,28,32).
What are the key properties of 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypiperidin-1-yl)-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 168972272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).