2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane

C21H27FN6O — CID 178157079

IUPAC2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane
SMILESC=CC1=C(N)OCc2cn(-c3ccc(N4CCC(N)C4)nc3)nc21.FC1CCC1
InChIInChI=1S/C17H20N6O.C4H7F/c1-2-14-16-11(10-24-17(14)19)8-23(21-16)13-3-4-15(20-7-13)22-6-5-12(18)9-22;5-4-2-1-3-4/h2-4,7-8,12H,1,5-6,9-10,18-19H2;4H,1-3H2
InChIKeyPRVCGRVGOINXEJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.66
Rot. Bonds3

About 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane

2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane (PubChem CID 178157079) has the molecular formula C21H27FN6O and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane.

Molecular Properties

Compound Name2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane
PubChem CID178157079
Molecular FormulaC21H27FN6O
Molecular Weight398.49 g/mol
Exact Mass398.22
IUPAC Name2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane
SMILESC=CC1=C(N)OCc2cn(-c3ccc(N4CCC(N)C4)nc3)nc21.FC1CCC1
InChIInChI=1S/C17H20N6O.C4H7F/c1-2-14-16-11(10-24-17(14)19)8-23(21-16)13-3-4-15(20-7-13)22-6-5-12(18)9-22;5-4-2-1-3-4/h2-4,7-8,12H,1,5-6,9-10,18-19H2;4H,1-3H2
InChIKeyPRVCGRVGOINXEJ-UHFFFAOYSA-N
XLogP2.66
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[7-ethenyl-6-(methylideneamino)-4H-pyrano[4,3-c]pyrazol-2-yl]-2-pyridinyl]-N-(3-fluorocyclobutyl)piperidin-4-amine
CID 178157251
5-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-2-(4-chlorophenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189674
7-[(1Z)-buta-1,3-dienyl]-6-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrano[4,3-c]pyrazole
CID 178157160
8-[(1Z)-buta-1,3-dienyl]-2-[6-[3-(3-fluoroazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-7-methyl-5,6-dihydro-4H-cyclohepta[c]pyrazole
CID 178157037
7-[(1Z)-buta-1,3-dienyl]-6-methyl-2-[6-[5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-3-pyridinyl]-4H-pyrano[4,3-c]pyrazole
CID 178156977
6-[(3R)-3-aminopyrrolidin-1-yl]pyridin-3-amine
CID 68722963
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
3-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-4-oxo-6H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
CID 168786983
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837094
1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 66854552
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-[4-(2-trimethylsilylethoxymethoxy)-2-pyridinyl]-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168787061

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane?
The IUPAC name of 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane (CID 178157079) is 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane.
What is the SMILES notation for 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane?
The canonical SMILES for 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane is C=CC1=C(N)OCc2cn(-c3ccc(N4CCC(N)C4)nc3)nc21.FC1CCC1.
What is the InChIKey of 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane?
The InChIKey is PRVCGRVGOINXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C4H7F/c1-2-14-16-11(10-24-17(14)19)8-23(21-16)13-3-4-15(20-7-13)22-6-5-12(18)9-22;5-4-2-1-3-4/h2-4,7-8,12H,1,5-6,9-10,18-19H2;4H,1-3H2.
What are the key properties of 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane?
2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane has a molecular weight of 398.49 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-7-ethenyl-4H-pyrano[4,3-c]pyrazol-6-amine;fluorocyclobutane is sourced from PubChem (CID 178157079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).