5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide

C23H28N4O2 — CID 98075366

IUPAC5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide
SMILESCc1oc(C2CC2)cc1C(=O)NCC1CCC(c2nn(C)c3ncccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-14-19(12-20(29-14)16-9-10-16)23(28)25-13-15-5-7-17(8-6-15)21-18-4-3-11-24-22(18)27(2)26-21/h3-4,11-12,15-17H,5-10,13H2,1-2H3,(H,25,28)
InChIKeyANROAAAZWGITDO-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.45
Rot. Bonds5

About 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide

5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide (PubChem CID 98075366) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide
PubChem CID98075366
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide
SMILESCc1oc(C2CC2)cc1C(=O)NCC1CCC(c2nn(C)c3ncccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-14-19(12-20(29-14)16-9-10-16)23(28)25-13-15-5-7-17(8-6-15)21-18-4-3-11-24-22(18)27(2)26-21/h3-4,11-12,15-17H,5-10,13H2,1-2H3,(H,25,28)
InChIKeyANROAAAZWGITDO-UHFFFAOYSA-N
XLogP4.45
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide (CID 98075366) is 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide is Cc1oc(C2CC2)cc1C(=O)NCC1CCC(c2nn(C)c3ncccc23)CC1.
What is the InChIKey of 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide?
The InChIKey is ANROAAAZWGITDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14-19(12-20(29-14)16-9-10-16)23(28)25-13-15-5-7-17(8-6-15)21-18-4-3-11-24-22(18)27(2)26-21/h3-4,11-12,15-17H,5-10,13H2,1-2H3,(H,25,28).
What are the key properties of 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide?
5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-N-[[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)cyclohexyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 98075366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).