N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C24H29FN4O3 — CID 91919825

IUPACN-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3cn[nH]c3-c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C24H29FN4O3/c1-16(30)29(19-6-7-19)20-8-13-32-24(14-20)9-11-28(12-10-24)23(31)21-15-26-27-22(21)17-2-4-18(25)5-3-17/h2-5,15,19-20H,6-14H2,1H3,(H,26,27)
InChIKeyRQZWPXDZDWMZMZ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.38
Rot. Bonds4

About N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91919825) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91919825
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3cn[nH]c3-c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C24H29FN4O3/c1-16(30)29(19-6-7-19)20-8-13-32-24(14-20)9-11-28(12-10-24)23(31)21-15-26-27-22(21)17-2-4-18(25)5-3-17/h2-5,15,19-20H,6-14H2,1H3,(H,26,27)
InChIKeyRQZWPXDZDWMZMZ-UHFFFAOYSA-N
XLogP3.38
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91919825) is N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3cn[nH]c3-c3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is RQZWPXDZDWMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-16(30)29(19-6-7-19)20-8-13-32-24(14-20)9-11-28(12-10-24)23(31)21-15-26-27-22(21)17-2-4-18(25)5-3-17/h2-5,15,19-20H,6-14H2,1H3,(H,26,27).
What are the key properties of N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 440.52 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91919825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).