1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C22H26N6O2 — CID 166328617

IUPAC1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C1CC1)n1ncc2cc(C(=O)NCc3cc4c([nH]c3=O)CCN(C)C4)cnc21
InChIInChI=1S/C22H26N6O2/c1-13(14-3-4-14)28-20-15(11-25-28)7-16(9-23-20)21(29)24-10-17-8-18-12-27(2)6-5-19(18)26-22(17)30/h7-9,11,13-14H,3-6,10,12H2,1-2H3,(H,24,29)(H,26,30)
InChIKeyXKVRQSWYYOJKDC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.01
Rot. Bonds5

About 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 166328617) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID166328617
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C1CC1)n1ncc2cc(C(=O)NCc3cc4c([nH]c3=O)CCN(C)C4)cnc21
InChIInChI=1S/C22H26N6O2/c1-13(14-3-4-14)28-20-15(11-25-28)7-16(9-23-20)21(29)24-10-17-8-18-12-27(2)6-5-19(18)26-22(17)30/h7-9,11,13-14H,3-6,10,12H2,1-2H3,(H,24,29)(H,26,30)
InChIKeyXKVRQSWYYOJKDC-UHFFFAOYSA-N
XLogP2.01
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522145
1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75467643
2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide
CID 166281162
1-(1-cyclopropylethyl)-N-(5-fluoro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 154747674
3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522143
N-[(4-nitrophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 47063560
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46579624
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41369321
N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220823
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55729815
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 100839330

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 166328617) is 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C1CC1)n1ncc2cc(C(=O)NCc3cc4c([nH]c3=O)CCN(C)C4)cnc21.
What is the InChIKey of 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XKVRQSWYYOJKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13(14-3-4-14)28-20-15(11-25-28)7-16(9-23-20)21(29)24-10-17-8-18-12-27(2)6-5-19(18)26-22(17)30/h7-9,11,13-14H,3-6,10,12H2,1-2H3,(H,24,29)(H,26,30).
What are the key properties of 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166328617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).