1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide

C25H40N6O — CID 92898904

IUPAC1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)C1CCN(c2nccc3c(C)nn(CC)c23)CC1
InChIInChI=1S/C25H40N6O/c1-4-21-9-6-7-15-29(21)16-8-13-27-25(32)20-11-17-30(18-12-20)24-23-22(10-14-26-24)19(3)28-31(23)5-2/h10,14,20-21H,4-9,11-13,15-18H2,1-3H3,(H,27,32)/t21-/m0/s1
InChIKeyNMDDRSOFLZTDHA-NRFANRHFSA-N
MW440.64 g/mol
LogP3.75
Rot. Bonds8

About 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide

1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 92898904) has the molecular formula C25H40N6O and a molecular weight of 440.64 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID92898904
Molecular FormulaC25H40N6O
Molecular Weight440.64 g/mol
Exact Mass440.33
IUPAC Name1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)C1CCN(c2nccc3c(C)nn(CC)c23)CC1
InChIInChI=1S/C25H40N6O/c1-4-21-9-6-7-15-29(21)16-8-13-27-25(32)20-11-17-30(18-12-20)24-23-22(10-14-26-24)19(3)28-31(23)5-2/h10,14,20-21H,4-9,11-13,15-18H2,1-3H3,(H,27,32)/t21-/m0/s1
InChIKeyNMDDRSOFLZTDHA-NRFANRHFSA-N
XLogP3.75
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.64
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (CID 92898904) is 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is CC[C@H]1CCCCN1CCCNC(=O)C1CCN(c2nccc3c(C)nn(CC)c23)CC1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is NMDDRSOFLZTDHA-NRFANRHFSA-N. The full InChI is InChI=1S/C25H40N6O/c1-4-21-9-6-7-15-29(21)16-8-13-27-25(32)20-11-17-30(18-12-20)24-23-22(10-14-26-24)19(3)28-31(23)5-2/h10,14,20-21H,4-9,11-13,15-18H2,1-3H3,(H,27,32)/t21-/m0/s1.
What are the key properties of 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 440.64 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 92898904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).