(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one

C17H19FN4O2 — CID 99807241

IUPAC(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCc1nn(C2CCCC2)c(N)c1[C@@]1(O)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H19FN4O2/c1-9-14(15(19)22(21-9)11-4-2-3-5-11)17(24)12-8-10(18)6-7-13(12)20-16(17)23/h6-8,11,24H,2-5,19H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyQDZSSOVXQVMTPN-QGZVFWFLSA-N
MW330.36 g/mol
LogP2.22
Rot. Bonds2

About (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one

(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 99807241) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID99807241
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCc1nn(C2CCCC2)c(N)c1[C@@]1(O)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H19FN4O2/c1-9-14(15(19)22(21-9)11-4-2-3-5-11)17(24)12-8-10(18)6-7-13(12)20-16(17)23/h6-8,11,24H,2-5,19H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyQDZSSOVXQVMTPN-QGZVFWFLSA-N
XLogP2.22
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one (CID 99807241) is (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one is Cc1nn(C2CCCC2)c(N)c1[C@@]1(O)C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is QDZSSOVXQVMTPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-9-14(15(19)22(21-9)11-4-2-3-5-11)17(24)12-8-10(18)6-7-13(12)20-16(17)23/h6-8,11,24H,2-5,19H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 99807241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).