3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide

C17H23N5O3 — CID 124627540

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide
SMILESC[C@H]1C[C@H]1c1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-10-8-11(10)12-9-13(21-20-12)18-14(23)4-7-22-15(24)17(19-16(22)25)5-2-3-6-17/h9-11H,2-8H2,1H3,(H,19,25)(H2,18,20,21,23)/t10-,11+/m0/s1
InChIKeyHPSYVUJQWOGEEB-WDEREUQCSA-N
MW345.40 g/mol
LogP1.73
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide (PubChem CID 124627540) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide
PubChem CID124627540
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide
SMILESC[C@H]1C[C@H]1c1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-10-8-11(10)12-9-13(21-20-12)18-14(23)4-7-22-15(24)17(19-16(22)25)5-2-3-6-17/h9-11H,2-8H2,1H3,(H,19,25)(H2,18,20,21,23)/t10-,11+/m0/s1
InChIKeyHPSYVUJQWOGEEB-WDEREUQCSA-N
XLogP1.73
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide (CID 124627540) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide is C[C@H]1C[C@H]1c1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n[nH]1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide?
The InChIKey is HPSYVUJQWOGEEB-WDEREUQCSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10-8-11(10)12-9-13(21-20-12)18-14(23)4-7-22-15(24)17(19-16(22)25)5-2-3-6-17/h9-11H,2-8H2,1H3,(H,19,25)(H2,18,20,21,23)/t10-,11+/m0/s1.
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 124627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).