N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H36N8O2 — CID 138403986

IUPACN-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCC(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)nc3c2cnn3C(C)C)C(=O)N1
InChIInChI=1S/C27H36N8O2/c1-17(2)35-25-22(16-30-35)21(27(37)29-15-20-6-5-18(3)31-26(20)36)13-23(32-25)19-7-8-24(28-14-19)34-11-9-33(4)10-12-34/h7-8,13-14,16-18,20H,5-6,9-12,15H2,1-4H3,(H,29,37)(H,31,36)
InChIKeyKCKWLNQNJLIZMX-UHFFFAOYSA-N
MW504.64 g/mol
LogP2.47
Rot. Bonds6

About N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138403986) has the molecular formula C27H36N8O2 and a molecular weight of 504.64 g/mol. Its IUPAC name is N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID138403986
Molecular FormulaC27H36N8O2
Molecular Weight504.64 g/mol
Exact Mass504.30
IUPAC NameN-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCC(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)nc3c2cnn3C(C)C)C(=O)N1
InChIInChI=1S/C27H36N8O2/c1-17(2)35-25-22(16-30-35)21(27(37)29-15-20-6-5-18(3)31-26(20)36)13-23(32-25)19-7-8-24(28-14-19)34-11-9-33(4)10-12-34/h7-8,13-14,16-18,20H,5-6,9-12,15H2,1-4H3,(H,29,37)(H,31,36)
InChIKeyKCKWLNQNJLIZMX-UHFFFAOYSA-N
XLogP2.47
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 138403986) is N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1CCC(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)nc3c2cnn3C(C)C)C(=O)N1.
What is the InChIKey of N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KCKWLNQNJLIZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O2/c1-17(2)35-25-22(16-30-35)21(27(37)29-15-20-6-5-18(3)31-26(20)36)13-23(32-25)19-7-8-24(28-14-19)34-11-9-33(4)10-12-34/h7-8,13-14,16-18,20H,5-6,9-12,15H2,1-4H3,(H,29,37)(H,31,36).
What are the key properties of N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxopiperidin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138403986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).