1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide

C18H27FN4O3 — CID 131696544

IUPAC1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide
SMILESCCC(CC)NC(=O)c1n[nH]c2c1COCC21CCN(C(=O)CCF)C1
InChIInChI=1S/C18H27FN4O3/c1-3-12(4-2)20-17(25)15-13-9-26-11-18(16(13)22-21-15)6-8-23(10-18)14(24)5-7-19/h12H,3-11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyTYAQKTQATFVYSJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.69
Rot. Bonds6

About 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide

1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide (PubChem CID 131696544) has the molecular formula C18H27FN4O3 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide.

Molecular Properties

Compound Name1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide
PubChem CID131696544
Molecular FormulaC18H27FN4O3
Molecular Weight366.44 g/mol
Exact Mass366.21
IUPAC Name1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide
SMILESCCC(CC)NC(=O)c1n[nH]c2c1COCC21CCN(C(=O)CCF)C1
InChIInChI=1S/C18H27FN4O3/c1-3-12(4-2)20-17(25)15-13-9-26-11-18(16(13)22-21-15)6-8-23(10-18)14(24)5-7-19/h12H,3-11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyTYAQKTQATFVYSJ-UHFFFAOYSA-N
XLogP1.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide?
The IUPAC name of 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide (CID 131696544) is 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide.
What is the SMILES notation for 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide?
The canonical SMILES for 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide is CCC(CC)NC(=O)c1n[nH]c2c1COCC21CCN(C(=O)CCF)C1.
What is the InChIKey of 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide?
The InChIKey is TYAQKTQATFVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O3/c1-3-12(4-2)20-17(25)15-13-9-26-11-18(16(13)22-21-15)6-8-23(10-18)14(24)5-7-19/h12H,3-11H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide?
1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluoropropanoyl)-N-pentan-3-ylspiro[4,6-dihydro-1H-pyrano[3,4-d]pyrazole-7,3'-pyrrolidine]-3-carboxamide is sourced from PubChem (CID 131696544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).