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

C23H25N5O4 — CID 175898469

IUPAC3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3cnc4c(c3)C(OC3CC(O)C3)C(C)(C)O4)n2)cn1
InChIInChI=1S/C23H25N5O4/c1-23(2)20(31-16-8-15(29)9-16)17-7-13(10-24-22(17)32-23)21(30)27-19-6-4-5-18(26-19)14-11-25-28(3)12-14/h4-7,10-12,15-16,20,29H,8-9H2,1-3H3,(H,26,27,30)
InChIKeyHXQIVCXRUKHHRY-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.88
Rot. Bonds5

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

3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide (PubChem CID 175898469) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
PubChem CID175898469
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3cnc4c(c3)C(OC3CC(O)C3)C(C)(C)O4)n2)cn1
InChIInChI=1S/C23H25N5O4/c1-23(2)20(31-16-8-15(29)9-16)17-7-13(10-24-22(17)32-23)21(30)27-19-6-4-5-18(26-19)14-11-25-28(3)12-14/h4-7,10-12,15-16,20,29H,8-9H2,1-3H3,(H,26,27,30)
InChIKeyHXQIVCXRUKHHRY-UHFFFAOYSA-N
XLogP2.88
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126801451
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
3-(4-fluorophenyl)-3-hydroxy-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxamide
CID 126798043
3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide
CID 138587575
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
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzofuran-5-carboxamide
CID 138587643
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 138589617
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
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 138591594
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
CID 138590221

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 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) is 3-(3-hydroxycyclobutyl)oxy-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 3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide is Cn1cc(-c2cccc(NC(=O)c3cnc4c(c3)C(OC3CC(O)C3)C(C)(C)O4)n2)cn1.
What is the InChIKey of 3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HXQIVCXRUKHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-23(2)20(31-16-8-15(29)9-16)17-7-13(10-24-22(17)32-23)21(30)27-19-6-4-5-18(26-19)14-11-25-28(3)12-14/h4-7,10-12,15-16,20,29H,8-9H2,1-3H3,(H,26,27,30).
What are the key properties of 3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide?
3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 175898469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).