N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide

C16H25N5O3 — CID 131738890

IUPACN-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESC[C@H]1COCCN1CCCNC(=O)C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H25N5O3/c1-12-11-24-8-7-20(12)5-2-4-17-15(22)16(23)21-6-3-14-13(10-21)9-18-19-14/h9,12H,2-8,10-11H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1
InChIKeyRERMBXPLAZPATF-LBPRGKRZSA-N
MW335.41 g/mol
LogP-0.48
Rot. Bonds4

About N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide

N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide (PubChem CID 131738890) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
PubChem CID131738890
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESC[C@H]1COCCN1CCCNC(=O)C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H25N5O3/c1-12-11-24-8-7-20(12)5-2-4-17-15(22)16(23)21-6-3-14-13(10-21)9-18-19-14/h9,12H,2-8,10-11H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1
InChIKeyRERMBXPLAZPATF-LBPRGKRZSA-N
XLogP-0.48
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide (CID 131738890) is N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide is C[C@H]1COCCN1CCCNC(=O)C(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
The InChIKey is RERMBXPLAZPATF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-12-11-24-8-7-20(12)5-2-4-17-15(22)16(23)21-6-3-14-13(10-21)9-18-19-14/h9,12H,2-8,10-11H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1.
What are the key properties of N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide?
N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 131738890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).